ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C19H15NO2S3 — CID 66644689

IUPACethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)s2)nc1C
InChIInChI=1S/C19H15NO2S3/c1-3-22-19(21)17-11(2)20-18(25-17)15-9-8-14(24-15)16-10-12-6-4-5-7-13(12)23-16/h4-10H,3H2,1-2H3
InChIKeyJKMGPEXXPZRWGA-UHFFFAOYSA-N
MW385.54 g/mol
LogP6.24
Rot. Bonds4

About ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 66644689) has the molecular formula C19H15NO2S3 and a molecular weight of 385.54 g/mol. Its IUPAC name is ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID66644689
Molecular FormulaC19H15NO2S3
Molecular Weight385.54 g/mol
Exact Mass385.03
IUPAC Nameethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)s2)nc1C
InChIInChI=1S/C19H15NO2S3/c1-3-22-19(21)17-11(2)20-18(25-17)15-9-8-14(24-15)16-10-12-6-4-5-7-13(12)23-16/h4-10H,3H2,1-2H3
InChIKeyJKMGPEXXPZRWGA-UHFFFAOYSA-N
XLogP6.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[5-(1-benzothiophen-2-yl)furan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645183
ethyl 2-[5-(1-benzofuran-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66644957
ethyl 2-[5-(3,4-dimethoxyphenyl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 66645079
ethyl 2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 116887456
ethyl 4-methyl-2-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]thiophen-2-yl]-1,3-thiazole-5-carboxylate
CID 66646802
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4072242
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-[2-(1-benzothiophen-2-yl)-5-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetate
CID 59385120
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
ethyl 4-methyl-2-[3-methyl-5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazole-5-carboxylate
CID 66645098

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 66644689) is ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4s3)s2)nc1C.
What is the InChIKey of ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is JKMGPEXXPZRWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S3/c1-3-22-19(21)17-11(2)20-18(25-17)15-9-8-14(24-15)16-10-12-6-4-5-7-13(12)23-16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 385.54 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(1-benzothiophen-2-yl)thiophen-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66644689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).