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

C14H9FN2O2S2 — CID 112723705

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C14H9FN2O2S2/c1-7(18)10-6-20-14(16-10)17-13(19)12-4-8-2-3-9(15)5-11(8)21-12/h2-6H,1H3,(H,16,17,19)
InChIKeyVTYXLFACKLFBAR-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.95
Rot. Bonds3

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

N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 112723705) has the molecular formula C14H9FN2O2S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID112723705
Molecular FormulaC14H9FN2O2S2
Molecular Weight320.37 g/mol
Exact Mass320.01
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C14H9FN2O2S2/c1-7(18)10-6-20-14(16-10)17-13(19)12-4-8-2-3-9(15)5-11(8)21-12/h2-6H,1H3,(H,16,17,19)
InChIKeyVTYXLFACKLFBAR-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 51248183
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 80502021
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
CID 60716873
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
N-(4-acetyl-1,3-thiazol-2-yl)-3-fluoro-5-nitrobenzamide
CID 78953289
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 25492339

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 112723705) is N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide is CC(=O)c1csc(NC(=O)c2cc3ccc(F)cc3s2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is VTYXLFACKLFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S2/c1-7(18)10-6-20-14(16-10)17-13(19)12-4-8-2-3-9(15)5-11(8)21-12/h2-6H,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 112723705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).