N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C24H27FN4S — CID 123821766

IUPACN-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCCC(C)c1ccc2nc(CC)c(N(C)c3nc(-c4ccc(F)cc4)cs3)n2c1
InChIInChI=1S/C24H27FN4S/c1-5-7-16(3)18-10-13-22-26-20(6-2)23(29(22)14-18)28(4)24-27-21(15-30-24)17-8-11-19(25)12-9-17/h8-16H,5-7H2,1-4H3
InChIKeyJNQRDRLCSWGVOP-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.83
Rot. Bonds7

About N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 123821766) has the molecular formula C24H27FN4S and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID123821766
Molecular FormulaC24H27FN4S
Molecular Weight422.57 g/mol
Exact Mass422.19
IUPAC NameN-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCCC(C)c1ccc2nc(CC)c(N(C)c3nc(-c4ccc(F)cc4)cs3)n2c1
InChIInChI=1S/C24H27FN4S/c1-5-7-16(3)18-10-13-22-26-20(6-2)23(29(22)14-18)28(4)24-27-21(15-30-24)17-8-11-19(25)12-9-17/h8-16H,5-7H2,1-4H3
InChIKeyJNQRDRLCSWGVOP-UHFFFAOYSA-N
XLogP6.83
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 123821766) is N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCCC(C)c1ccc2nc(CC)c(N(C)c3nc(-c4ccc(F)cc4)cs3)n2c1.
What is the InChIKey of N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JNQRDRLCSWGVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4S/c1-5-7-16(3)18-10-13-22-26-20(6-2)23(29(22)14-18)28(4)24-27-21(15-30-24)17-8-11-19(25)12-9-17/h8-16H,5-7H2,1-4H3.
What are the key properties of N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 422.57 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123821766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).