N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

C13H9ClN6OS — CID 90506088

IUPACN-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C13H9ClN6OS/c14-10-8(3-1-4-15-10)18-11(21)9-7-22-13(19-9)20-12-16-5-2-6-17-12/h1-7H,(H,18,21)(H,16,17,19,20)
InChIKeyBHIIFJVJXBXJDP-UHFFFAOYSA-N
MW332.78 g/mol
LogP2.98
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90506088) has the molecular formula C13H9ClN6OS and a molecular weight of 332.78 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90506088
Molecular FormulaC13H9ClN6OS
Molecular Weight332.78 g/mol
Exact Mass332.02
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C13H9ClN6OS/c14-10-8(3-1-4-15-10)18-11(21)9-7-22-13(19-9)20-12-16-5-2-6-17-12/h1-7H,(H,18,21)(H,16,17,19,20)
InChIKeyBHIIFJVJXBXJDP-UHFFFAOYSA-N
XLogP2.98
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087
2-[(2-chloro-3-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58958517
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506013
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506093
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506082
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90506088) is N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1cccnc1Cl)c1csc(Nc2ncccn2)n1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is BHIIFJVJXBXJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6OS/c14-10-8(3-1-4-15-10)18-11(21)9-7-22-13(19-9)20-12-16-5-2-6-17-12/h1-7H,(H,18,21)(H,16,17,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 332.78 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).