N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

C21H20N4OS — CID 70786143

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)s1
InChIInChI=1S/C21H20N4OS/c1-3-20-23-14(2)18(27-20)11-22-21(26)16-9-10-19-24-17(13-25(19)12-16)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)
InChIKeyTUUXEWUCZUJKCN-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.26
Rot. Bonds5

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70786143) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70786143
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)s1
InChIInChI=1S/C21H20N4OS/c1-3-20-23-14(2)18(27-20)11-22-21(26)16-9-10-19-24-17(13-25(19)12-16)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,22,26)
InChIKeyTUUXEWUCZUJKCN-UHFFFAOYSA-N
XLogP4.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide (CID 70786143) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is CCc1nc(C)c(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is TUUXEWUCZUJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-3-20-23-14(2)18(27-20)11-22-21(26)16-9-10-19-24-17(13-25(19)12-16)15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70786143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).