5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide

C14H9ClN2OS2 — CID 17435952

IUPAC5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClN2OS2/c15-12-6-5-11(20-12)13(18)17-10-3-1-9(2-4-10)14-16-7-8-19-14/h1-8H,(H,17,18)
InChIKeyANLOKPWACZIYNF-UHFFFAOYSA-N
MW320.83 g/mol
LogP4.78
Rot. Bonds3

About 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide

5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 17435952) has the molecular formula C14H9ClN2OS2 and a molecular weight of 320.83 g/mol. Its IUPAC name is 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID17435952
Molecular FormulaC14H9ClN2OS2
Molecular Weight320.83 g/mol
Exact Mass319.98
IUPAC Name5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClN2OS2/c15-12-6-5-11(20-12)13(18)17-10-3-1-9(2-4-10)14-16-7-8-19-14/h1-8H,(H,17,18)
InChIKeyANLOKPWACZIYNF-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 124877593
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
CID 55823361
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide (CID 17435952) is 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is ANLOKPWACZIYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS2/c15-12-6-5-11(20-12)13(18)17-10-3-1-9(2-4-10)14-16-7-8-19-14/h1-8H,(H,17,18).
What are the key properties of 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 320.83 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17435952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).