3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide

C13H10ClN3O2S2 — CID 19225659

IUPAC3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nnc(C)s3)c(Cl)c2c1
InChIInChI=1S/C13H10ClN3O2S2/c1-6-16-17-13(20-6)15-12(18)11-10(14)8-5-7(19-2)3-4-9(8)21-11/h3-5H,1-2H3,(H,15,17,18)
InChIKeyJJTJTBYZIMVCDN-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide

3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 19225659) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID19225659
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nnc(C)s3)c(Cl)c2c1
InChIInChI=1S/C13H10ClN3O2S2/c1-6-16-17-13(20-6)15-12(18)11-10(14)8-5-7(19-2)3-4-9(8)21-11/h3-5H,1-2H3,(H,15,17,18)
InChIKeyJJTJTBYZIMVCDN-UHFFFAOYSA-N
XLogP3.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide 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

3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225645
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225752
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
3-chloro-5-methoxy-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 19225687
3-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225668
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19229469
3-chloro-5-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 19225566
N-(4-butylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225588
3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
CID 19225565
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 19225659) is 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3nnc(C)s3)c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is JJTJTBYZIMVCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c1-6-16-17-13(20-6)15-12(18)11-10(14)8-5-7(19-2)3-4-9(8)21-11/h3-5H,1-2H3,(H,15,17,18).
What are the key properties of 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide?
3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).