2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one

C15H11F3N4OS — CID 135981104

IUPAC2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C15H11F3N4OS/c1-7-12(10-6-11(23)22-14(19)21-10)24-13(20-7)8-2-4-9(5-3-8)15(16,17)18/h2-6H,1H3,(H3,19,21,22,23)
InChIKeyMSQXKVOCVJVSQM-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.47
Rot. Bonds2

About 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one

2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (PubChem CID 135981104) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
PubChem CID135981104
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C15H11F3N4OS/c1-7-12(10-6-11(23)22-14(19)21-10)24-13(20-7)8-2-4-9(5-3-8)15(16,17)18/h2-6H,1H3,(H3,19,21,22,23)
InChIKeyMSQXKVOCVJVSQM-UHFFFAOYSA-N
XLogP3.47
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135464939
N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 155536315
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 891073
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135401283
6-methyl-2-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4(3H)-pyrimidinone
CID 135468814
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 155517915
5-(tert-butylamino)-2-(4-methylphenyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 168278885
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2852571
5-methyl-2-[4-(trifluoromethyl)phenyl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733029
N-(2,5-difluorophenyl)-2-((4-(4-methyl-2-phenylthiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135952007
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 145960702
5-(tert-butylamino)-2-(4-fluorophenyl)-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 168285432

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one (CID 135981104) is 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
The InChIKey is MSQXKVOCVJVSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-7-12(10-6-11(23)22-14(19)21-10)24-13(20-7)8-2-4-9(5-3-8)15(16,17)18/h2-6H,1H3,(H3,19,21,22,23).
What are the key properties of 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one has a molecular weight of 352.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135981104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).