N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine

C17H10F4N4S — CID 88887683

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1C(F)(F)F
InChIInChI=1S/C17H10F4N4S/c18-12-5-4-10(7-11(12)17(19,20)21)23-16-24-13(9-26-16)14-8-22-15-3-1-2-6-25(14)15/h1-9H,(H,23,24)
InChIKeyWGBQSQHMDHIWQG-UHFFFAOYSA-N
MW378.35 g/mol
LogP5.36
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine

N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 88887683) has the molecular formula C17H10F4N4S and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID88887683
Molecular FormulaC17H10F4N4S
Molecular Weight378.35 g/mol
Exact Mass378.06
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1C(F)(F)F
InChIInChI=1S/C17H10F4N4S/c18-12-5-4-10(7-11(12)17(19,20)21)23-16-24-13(9-26-16)14-8-22-15-3-1-2-6-25(14)15/h1-9H,(H,23,24)
InChIKeyWGBQSQHMDHIWQG-UHFFFAOYSA-N
XLogP5.36
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)-4-methylbenzene-1,3-diamine
CID 141437181
N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]cyclohexa-2,4-diene-1-carboxamide
CID 89219953
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 64622843
N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine
CID 58496168
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
4-imidazo[1,2-a]pyrazin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 86674181
4-(2-chlorophenyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791993
N-(5-chloro-2-methoxyphenyl)-4-imidazo[1,2-a]pyrazin-3-yl-1,3-thiazol-2-amine
CID 86674179
1-[2-(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)ethyl]pyrrolidin-2-one
CID 138047206
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-quinolin-3-yl-1,3-thiazol-2-amine
CID 58791436

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine (CID 88887683) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is WGBQSQHMDHIWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4S/c18-12-5-4-10(7-11(12)17(19,20)21)23-16-24-13(9-26-16)14-8-22-15-3-1-2-6-25(14)15/h1-9H,(H,23,24).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 378.35 g/mol, XLogP of 5.36, 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-(trifluoromethyl)phenyl]-4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 88887683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).