2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C15H10F3N5O2S — CID 90505988

IUPAC2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C15H10F3N5O2S/c16-15(17,18)25-10-4-2-9(3-5-10)21-12(24)11-8-26-14(22-11)23-13-19-6-1-7-20-13/h1-8H,(H,21,24)(H,19,20,22,23)
InChIKeyPRUKAKHUAREKFC-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.83
Rot. Bonds5

About 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90505988) has the molecular formula C15H10F3N5O2S and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90505988
Molecular FormulaC15H10F3N5O2S
Molecular Weight381.34 g/mol
Exact Mass381.05
IUPAC Name2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C15H10F3N5O2S/c16-15(17,18)25-10-4-2-9(3-5-10)21-12(24)11-8-26-14(22-11)23-13-19-6-1-7-20-13/h1-8H,(H,21,24)(H,19,20,22,23)
InChIKeyPRUKAKHUAREKFC-UHFFFAOYSA-N
XLogP3.83
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
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
2-[(2-chloro-3-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58958517
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
N-[(2-chlorophenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955216
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506082
N-(4-bromo-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955294
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955295
dimethyl 2-[[2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955297

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 90505988) is 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc(Nc2ncccn2)n1.
What is the InChIKey of 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PRUKAKHUAREKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2S/c16-15(17,18)25-10-4-2-9(3-5-10)21-12(24)11-8-26-14(22-11)23-13-19-6-1-7-20-13/h1-8H,(H,21,24)(H,19,20,22,23).
What are the key properties of 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 381.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90505988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).