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

C16H12F4N4S — CID 67349230

IUPACN-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(C(F)(F)F)c(-c2ccnc(Nc3ccc(F)c(C)c3)n2)s1
InChIInChI=1S/C16H12F4N4S/c1-8-7-10(3-4-11(8)17)23-15-21-6-5-12(24-15)13-14(16(18,19)20)22-9(2)25-13/h3-7H,1-2H3,(H,21,23,24)
InChIKeyDTCRFAYNAIPOLR-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.12
Rot. Bonds3

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

N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 67349230) has the molecular formula C16H12F4N4S and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID67349230
Molecular FormulaC16H12F4N4S
Molecular Weight368.36 g/mol
Exact Mass368.07
IUPAC NameN-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(C(F)(F)F)c(-c2ccnc(Nc3ccc(F)c(C)c3)n2)s1
InChIInChI=1S/C16H12F4N4S/c1-8-7-10(3-4-11(8)17)23-15-21-6-5-12(24-15)13-14(16(18,19)20)22-9(2)25-13/h3-7H,1-2H3,(H,21,23,24)
InChIKeyDTCRFAYNAIPOLR-UHFFFAOYSA-N
XLogP5.12
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
CID 143143317
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
N-(4-fluoro-3-methylphenyl)-2H-tetrazol-5-amine
CID 164653277
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11538234
N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564
ethane;N-[2-fluoro-5-[2-methyl-5-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-dimethylbenzenesulfonamide
CID 157382075
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 70946567
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
N-[3-[[4-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-4-methylphenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 59198017
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 67349230) is N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(C(F)(F)F)c(-c2ccnc(Nc3ccc(F)c(C)c3)n2)s1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is DTCRFAYNAIPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4S/c1-8-7-10(3-4-11(8)17)23-15-21-6-5-12(24-15)13-14(16(18,19)20)22-9(2)25-13/h3-7H,1-2H3,(H,21,23,24).
What are the key properties of N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 368.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 67349230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).