N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide

C20H18N4OS — CID 71802021

IUPACN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4OS/c1-2-23(13-16-12-21-18-10-6-7-11-24(16)18)20(25)17-14-26-19(22-17)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyJAYAYCWBIJHYLY-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.12
Rot. Bonds5

About N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 71802021) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID71802021
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1cnc2ccccn12)C(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N4OS/c1-2-23(13-16-12-21-18-10-6-7-11-24(16)18)20(25)17-14-26-19(22-17)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyJAYAYCWBIJHYLY-UHFFFAOYSA-N
XLogP4.12
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 71802021) is N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide is CCN(Cc1cnc2ccccn12)C(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is JAYAYCWBIJHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-23(13-16-12-21-18-10-6-7-11-24(16)18)20(25)17-14-26-19(22-17)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3.
What are the key properties of N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71802021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).