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

C18H10F6N4S — CID 73427118

IUPAC4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)cs2)cc1
InChIInChI=1S/C18H10F6N4S/c19-17(20,21)10-4-6-11(7-5-10)25-16-26-12(9-29-16)14-15(18(22,23)24)27-13-3-1-2-8-28(13)14/h1-9H,(H,25,26)
InChIKeyKYPPJHVEENIEGO-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.24
Rot. Bonds3

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

4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 73427118) has the molecular formula C18H10F6N4S and a molecular weight of 428.36 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID73427118
Molecular FormulaC18H10F6N4S
Molecular Weight428.36 g/mol
Exact Mass428.05
IUPAC Name4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)cs2)cc1
InChIInChI=1S/C18H10F6N4S/c19-17(20,21)10-4-6-11(7-5-10)25-16-26-12(9-29-16)14-15(18(22,23)24)27-13-3-1-2-8-28(13)14/h1-9H,(H,25,26)
InChIKeyKYPPJHVEENIEGO-UHFFFAOYSA-N
XLogP6.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 73427118) is 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)cs2)cc1.
What is the InChIKey of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is KYPPJHVEENIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4S/c19-17(20,21)10-4-6-11(7-5-10)25-16-26-12(9-29-16)14-15(18(22,23)24)27-13-3-1-2-8-28(13)14/h1-9H,(H,25,26).
What are the key properties of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 428.36 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 73427118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).