5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C15H11F3N4S — CID 20741341

IUPAC5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1nccs1
InChIInChI=1S/C15H11F3N4S/c1-9-8-20-14(22-12(9)13-19-5-6-23-13)21-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H,20,21,22)
InChIKeyUGODZSAAPZJBGW-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.67
Rot. Bonds3

About 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 20741341) has the molecular formula C15H11F3N4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID20741341
Molecular FormulaC15H11F3N4S
Molecular Weight336.34 g/mol
Exact Mass336.07
IUPAC Name5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1nccs1
InChIInChI=1S/C15H11F3N4S/c1-9-8-20-14(22-12(9)13-19-5-6-23-13)21-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H,20,21,22)
InChIKeyUGODZSAAPZJBGW-UHFFFAOYSA-N
XLogP4.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59452184
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768832
ethane;2-(3-fluoroanilino)-6-(1,3-thiazol-2-yl)quinazolin-7-ol
CID 143712468
2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 704906
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
5-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 170970744
4-[2-(3,4-dimethylanilino)-5-methylpyrimidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 91899269
2-ethenyl-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine
CID 155344346

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 20741341) is 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1cnc(Nc2cccc(C(F)(F)F)c2)nc1-c1nccs1.
What is the InChIKey of 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is UGODZSAAPZJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4S/c1-9-8-20-14(22-12(9)13-19-5-6-23-13)21-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H,20,21,22).
What are the key properties of 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 336.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 20741341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).