N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine

C25H18ClF6N3S — CID 59134677

IUPACN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
SMILESCC(F)(F)c1csc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1
InChIInChI=1S/C25H18ClF6N3S/c1-23(28,29)21-14-36-22(34-21)35-24(12-15-5-3-2-4-6-15,20-8-7-18(26)13-33-20)16-9-17(25(30,31)32)11-19(27)10-16/h2-11,13-14H,12H2,1H3,(H,34,35)
InChIKeyIVCWHJHHFQAOLD-UHFFFAOYSA-N
MW541.95 g/mol
LogP8.06
Rot. Bonds7

About N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine (PubChem CID 59134677) has the molecular formula C25H18ClF6N3S and a molecular weight of 541.95 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
PubChem CID59134677
Molecular FormulaC25H18ClF6N3S
Molecular Weight541.95 g/mol
Exact Mass541.08
IUPAC NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
SMILESCC(F)(F)c1csc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1
InChIInChI=1S/C25H18ClF6N3S/c1-23(28,29)21-14-36-22(34-21)35-24(12-15-5-3-2-4-6-15,20-8-7-18(26)13-33-20)16-9-17(25(30,31)32)11-19(27)10-16/h2-11,13-14H,12H2,1H3,(H,34,35)
InChIKeyIVCWHJHHFQAOLD-UHFFFAOYSA-N
XLogP8.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.95
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N2-(3-pyridyl)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 2740205
(4-Chloro-phenyl)-(4-pyridin-4-yl-thiazol-2-yl)-amine
CID 704499
[4-(4-Fluoro-3-methyl-phenyl)-thiazol-2-yl]-pyridin-2-yl-amine
CID 751841
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(5-methyl-pyridin-2-yl)-amine
CID 972745
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 1092431
N-(5-chloro-2-methylphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 2213802
N2-(3-pyridyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 2725904
N2-(3-pyridyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine
CID 2740204
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 4542386
[4-(2,4-Difluoro-phenyl)-thiazol-2-yl]-pyridin-2-yl-amine
CID 23724361
N-(4-chlorophenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 704584
N-(3-Chlorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 1092467

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine (CID 59134677) is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine is CC(F)(F)c1csc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is IVCWHJHHFQAOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF6N3S/c1-23(28,29)21-14-36-22(34-21)35-24(12-15-5-3-2-4-6-15,20-8-7-18(26)13-33-20)16-9-17(25(30,31)32)11-19(27)10-16/h2-11,13-14H,12H2,1H3,(H,34,35).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 541.95 g/mol, XLogP of 8.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59134677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).