N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

C15H10ClFN2O2S2 — CID 35132079

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C
InChIInChI=1S/C15H10ClFN2O2S2/c1-6-12(7(2)20)23-15(18-6)19-14(21)13-11(16)9-4-3-8(17)5-10(9)22-13/h3-5H,1-2H3,(H,18,19,21)
InChIKeyDBAVNKMPSZTKLF-UHFFFAOYSA-N
MW368.84 g/mol
LogP4.91
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 35132079) has the molecular formula C15H10ClFN2O2S2 and a molecular weight of 368.84 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID35132079
Molecular FormulaC15H10ClFN2O2S2
Molecular Weight368.84 g/mol
Exact Mass367.99
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C
InChIInChI=1S/C15H10ClFN2O2S2/c1-6-12(7(2)20)23-15(18-6)19-14(21)13-11(16)9-4-3-8(17)5-10(9)22-13/h3-5H,1-2H3,(H,18,19,21)
InChIKeyDBAVNKMPSZTKLF-UHFFFAOYSA-N
XLogP4.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508
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3-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide
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3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
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CID 16548921
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N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
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3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CID 35132079) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is CC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is DBAVNKMPSZTKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S2/c1-6-12(7(2)20)23-15(18-6)19-14(21)13-11(16)9-4-3-8(17)5-10(9)22-13/h3-5H,1-2H3,(H,18,19,21).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 368.84 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35132079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).