N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

C12H10N6OS2 — CID 90506093

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(Nc3ncccn3)n2)sn1
InChIInChI=1S/C12H10N6OS2/c1-7-5-9(21-18-7)16-10(19)8-6-20-12(15-8)17-11-13-3-2-4-14-11/h2-6H,1H3,(H,16,19)(H,13,14,15,17)
InChIKeyVVWWXUPVKRQBGJ-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.69
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90506093) has the molecular formula C12H10N6OS2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90506093
Molecular FormulaC12H10N6OS2
Molecular Weight318.39 g/mol
Exact Mass318.04
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(Nc3ncccn3)n2)sn1
InChIInChI=1S/C12H10N6OS2/c1-7-5-9(21-18-7)16-10(19)8-6-20-12(15-8)17-11-13-3-2-4-14-11/h2-6H,1H3,(H,16,19)(H,13,14,15,17)
InChIKeyVVWWXUPVKRQBGJ-UHFFFAOYSA-N
XLogP2.69
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506013
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506082
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90506101
N-(4-acetylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506196

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90506093) is N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(Nc3ncccn3)n2)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is VVWWXUPVKRQBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS2/c1-7-5-9(21-18-7)16-10(19)8-6-20-12(15-8)17-11-13-3-2-4-14-11/h2-6H,1H3,(H,16,19)(H,13,14,15,17).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).