6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide

C19H16N4O2S — CID 68783088

IUPAC6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cn3cc(-c4cccc(CO)c4)ccc3n2)sn1
InChIInChI=1S/C19H16N4O2S/c1-12-7-18(26-22-12)21-19(25)16-10-23-9-15(5-6-17(23)20-16)14-4-2-3-13(8-14)11-24/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyJMUBFPDWHCKHIQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.51
Rot. Bonds4

About 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide

6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 68783088) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID68783088
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cn3cc(-c4cccc(CO)c4)ccc3n2)sn1
InChIInChI=1S/C19H16N4O2S/c1-12-7-18(26-22-12)21-19(25)16-10-23-9-15(5-6-17(23)20-16)14-4-2-3-13(8-14)11-24/h2-10,24H,11H2,1H3,(H,21,25)
InChIKeyJMUBFPDWHCKHIQ-UHFFFAOYSA-N
XLogP3.51
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 68783088) is 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1cc(NC(=O)c2cn3cc(-c4cccc(CO)c4)ccc3n2)sn1.
What is the InChIKey of 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JMUBFPDWHCKHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-7-18(26-22-12)21-19(25)16-10-23-9-15(5-6-17(23)20-16)14-4-2-3-13(8-14)11-24/h2-10,24H,11H2,1H3,(H,21,25).
What are the key properties of 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 68783088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).