N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C25H24F3N5S — CID 142772360

IUPACN-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCNCC3)cn2c1CNc1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C25H24F3N5S/c1-2-20-22(33-14-18(5-8-23(33)31-20)16-9-11-29-12-10-16)13-30-24-32-21(15-34-24)17-3-6-19(7-4-17)25(26,27)28/h3-9,14-15,29H,2,10-13H2,1H3,(H,30,32)
InChIKeyZATHFGFZNABUCI-UHFFFAOYSA-N
MW483.56 g/mol
LogP6.03
Rot. Bonds6

About N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 142772360) has the molecular formula C25H24F3N5S and a molecular weight of 483.56 g/mol. Its IUPAC name is N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID142772360
Molecular FormulaC25H24F3N5S
Molecular Weight483.56 g/mol
Exact Mass483.17
IUPAC NameN-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCNCC3)cn2c1CNc1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C25H24F3N5S/c1-2-20-22(33-14-18(5-8-23(33)31-20)16-9-11-29-12-10-16)13-30-24-32-21(15-34-24)17-3-6-19(7-4-17)25(26,27)28/h3-9,14-15,29H,2,10-13H2,1H3,(H,30,32)
InChIKeyZATHFGFZNABUCI-UHFFFAOYSA-N
XLogP6.03
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 142772360) is N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CCNCC3)cn2c1CNc1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZATHFGFZNABUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5S/c1-2-20-22(33-14-18(5-8-23(33)31-20)16-9-11-29-12-10-16)13-30-24-32-21(15-34-24)17-3-6-19(7-4-17)25(26,27)28/h3-9,14-15,29H,2,10-13H2,1H3,(H,30,32).
What are the key properties of N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 483.56 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 142772360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).