N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

C13H16N4OS — CID 90509763

IUPACN-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c1-9(2)7-15-12(18)10-8-19-13(16-10)17-11-5-3-4-6-14-11/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyMQVWVUMMIZRLFY-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.67
Rot. Bonds5

About N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90509763) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90509763
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c1-9(2)7-15-12(18)10-8-19-13(16-10)17-11-5-3-4-6-14-11/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyMQVWVUMMIZRLFY-UHFFFAOYSA-N
XLogP2.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-(4-methylsulfonylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509926
N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509919
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804
N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90509763) is N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is CC(C)CNC(=O)c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is MQVWVUMMIZRLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(2)7-15-12(18)10-8-19-13(16-10)17-11-5-3-4-6-14-11/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).