3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide

C13H9ClN2O2S2 — CID 19225645

IUPAC3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nccs3)c(Cl)c2c1
InChIInChI=1S/C13H9ClN2O2S2/c1-18-7-2-3-9-8(6-7)10(14)11(20-9)12(17)16-13-15-4-5-19-13/h2-6H,1H3,(H,15,16,17)
InChIKeyQKHXLZKNSXNHBL-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.27
Rot. Bonds3

About 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide

3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 19225645) has the molecular formula C13H9ClN2O2S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID19225645
Molecular FormulaC13H9ClN2O2S2
Molecular Weight324.81 g/mol
Exact Mass323.98
IUPAC Name3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3nccs3)c(Cl)c2c1
InChIInChI=1S/C13H9ClN2O2S2/c1-18-7-2-3-9-8(6-7)10(14)11(20-9)12(17)16-13-15-4-5-19-13/h2-6H,1H3,(H,15,16,17)
InChIKeyQKHXLZKNSXNHBL-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225659
3-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225668
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225752
2-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 9043782
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-chlorophenyl)-1,3-thiazol-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 3403024
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19229469
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-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 19225645) is 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3nccs3)c(Cl)c2c1.
What is the InChIKey of 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is QKHXLZKNSXNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S2/c1-18-7-2-3-9-8(6-7)10(14)11(20-9)12(17)16-13-15-4-5-19-13/h2-6H,1H3,(H,15,16,17).
What are the key properties of 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).