N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C13H8ClN3OS2 — CID 4968210

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccn1
InChIInChI=1S/C13H8ClN3OS2/c14-11-5-4-10(20-11)9-7-19-13(16-9)17-12(18)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
InChIKeyCMOKFLQNSPDAKI-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.17
Rot. Bonds3

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 4968210) has the molecular formula C13H8ClN3OS2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID4968210
Molecular FormulaC13H8ClN3OS2
Molecular Weight321.81 g/mol
Exact Mass320.98
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccn1
InChIInChI=1S/C13H8ClN3OS2/c14-11-5-4-10(20-11)9-7-19-13(16-9)17-12(18)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
InChIKeyCMOKFLQNSPDAKI-UHFFFAOYSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31913964
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17426537

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 4968210) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccn1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is CMOKFLQNSPDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS2/c14-11-5-4-10(20-11)9-7-19-13(16-9)17-12(18)8-3-1-2-6-15-8/h1-7H,(H,16,17,18).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 4968210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).