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

C12H15N5OS — CID 90505942

IUPACN-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C12H15N5OS/c1-8(2)6-15-10(18)9-7-19-12(16-9)17-11-13-4-3-5-14-11/h3-5,7-8H,6H2,1-2H3,(H,15,18)(H,13,14,16,17)
InChIKeyUUHAJBLCSBHIFK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.06
Rot. Bonds5

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

N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90505942) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90505942
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C12H15N5OS/c1-8(2)6-15-10(18)9-7-19-12(16-9)17-11-13-4-3-5-14-11/h3-5,7-8H,6H2,1-2H3,(H,15,18)(H,13,14,16,17)
InChIKeyUUHAJBLCSBHIFK-UHFFFAOYSA-N
XLogP2.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505960
N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506013
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506073
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506093
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296984
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90505942) is N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is CC(C)CNC(=O)c1csc(Nc2ncccn2)n1.
What is the InChIKey of N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UUHAJBLCSBHIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8(2)6-15-10(18)9-7-19-12(16-9)17-11-13-4-3-5-14-11/h3-5,7-8H,6H2,1-2H3,(H,15,18)(H,13,14,16,17).
What are the key properties of N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90505942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).