N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

C19H17N5OS — CID 1117212

IUPACN-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C19H17N5OS/c1-12-18(24-10-4-3-5-17(24)20-12)16-11-26-19(23-16)22-15-8-6-14(7-9-15)21-13(2)25/h3-11H,1-2H3,(H,21,25)(H,22,23)
InChIKeyGQBDOCRWLJFEBR-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.47
Rot. Bonds4

About N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 1117212) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID1117212
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1
InChIInChI=1S/C19H17N5OS/c1-12-18(24-10-4-3-5-17(24)20-12)16-11-26-19(23-16)22-15-8-6-14(7-9-15)21-13(2)25/h3-11H,1-2H3,(H,21,25)(H,22,23)
InChIKeyGQBDOCRWLJFEBR-UHFFFAOYSA-N
XLogP4.47
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 1117212) is N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1.
What is the InChIKey of N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is GQBDOCRWLJFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-18(24-10-4-3-5-17(24)20-12)16-11-26-19(23-16)22-15-8-6-14(7-9-15)21-13(2)25/h3-11H,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1117212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).