Responsive image

Common name

methyl 4-methylthiophene-2-carboxylate

IUPAC name

methyl 4-methylthiophene-2-carboxylate

SMILES

s1c(cc(c1)C)C(=O)OC

Common name

methyl 4-methylthiophene-2-carboxylate

IUPAC name

methyl 4-methylthiophene-2-carboxylate

SMILES

s1c(cc(c1)C)C(=O)OC

INCHI

InChI=1S/C7H8O2S/c1-5-3-6(10-4-5)7(8)9-2/h3-4H,1-2H3

FORMULA

C7H8O2S

Responsive image

Common name

methyl 4-methylthiophene-2-carboxylate

IUPAC name

methyl 4-methylthiophene-2-carboxylate





Molecular weight

156.202

clogP

2.794

clogS

-1.813

Frequency

0.0003





HBond Acceptor

3

HBond Donor

0

Total Polar
Surface Area

54.54

Number of Rings

1

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01623 Articaine Responsive image Anesthetics, Local; Anesthetics; Nervous System; Amides;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4tmr_ligand_frag_0.mol2 4tmr 0.822581 -5.76 O=C(OC)c1cccs1 9
2hdq_ligand.mol2 2hdq 0.677419 -6.43 O=C(O)c1sccc1 9
4pov_ligand_1_0.mol2 4pov 0.569231 -6.39 c1sc(c(c1)C)CO 8
4pop_ligand_1_0.mol2 4pop 0.569231 -6.37 c1sc(c(c1)C)CO 8
4mm6_ligand_2_12.mol2 4mm6 0.516129 -5.81 c1(sccc1)CO 7
3ee2_ligand_frag_1.mol2 3ee2 0.5 -5.92 C(=O)c1cccs1 7
4mm6_ligand_3_16.mol2 4mm6 0.450704 -6.22 c1(sccc1)[C@@H](O)C 8
3gv9_ligand.mol2 3gv9 0.43 -6.73 O=C(C)Nc1ccsc1C(=O)O 13
4mm6_ligand_4_10.mol2 4mm6 0.423077 -6.45 c1(sccc1)[C@@H](O)CC 9
3dxk_ligand_1_2.mol2 3dxk 0.4125 -6.35 CNC(=O)c1cccs1 9
106 , 11