N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C15H8ClF5N4S — CID 130254198

IUPACN-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1nc(Cl)c(F)c(Nc2nc(-c3cc(F)cc(C(F)(F)F)c3)cs2)n1
InChIInChI=1S/C15H8ClF5N4S/c1-6-22-12(16)11(18)13(23-6)25-14-24-10(5-26-14)7-2-8(15(19,20)21)4-9(17)3-7/h2-5H,1H3,(H,22,23,24,25)
InChIKeyRRDFQGMTVZLIIG-UHFFFAOYSA-N
MW406.77 g/mol
LogP5.60
Rot. Bonds3

About N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 130254198) has the molecular formula C15H8ClF5N4S and a molecular weight of 406.77 g/mol. Its IUPAC name is N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID130254198
Molecular FormulaC15H8ClF5N4S
Molecular Weight406.77 g/mol
Exact Mass406.01
IUPAC NameN-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1nc(Cl)c(F)c(Nc2nc(-c3cc(F)cc(C(F)(F)F)c3)cs2)n1
InChIInChI=1S/C15H8ClF5N4S/c1-6-22-12(16)11(18)13(23-6)25-14-24-10(5-26-14)7-2-8(15(19,20)21)4-9(17)3-7/h2-5H,1H3,(H,22,23,24,25)
InChIKeyRRDFQGMTVZLIIG-UHFFFAOYSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.77
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 121363122
1-ethoxy-3-[4-[5-fluoro-6-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
CID 130254691
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375
2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)-N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87579445
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 130254198) is N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1nc(Cl)c(F)c(Nc2nc(-c3cc(F)cc(C(F)(F)F)c3)cs2)n1.
What is the InChIKey of N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RRDFQGMTVZLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5N4S/c1-6-22-12(16)11(18)13(23-6)25-14-24-10(5-26-14)7-2-8(15(19,20)21)4-9(17)3-7/h2-5H,1H3,(H,22,23,24,25).
What are the key properties of N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 406.77 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130254198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).