(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H19N5OS — CID 97224937

IUPAC(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN(Cc2cnc3ccccn23)C1
InChIInChI=1S/C17H19N5OS/c23-16(20-17-18-6-9-24-17)13-4-3-7-21(11-13)12-14-10-19-15-5-1-2-8-22(14)15/h1-2,5-6,8-10,13H,3-4,7,11-12H2,(H,18,20,23)/t13-/m0/s1
InChIKeyRJVHIQUVZLCGJI-ZDUSSCGKSA-N
MW341.44 g/mol
LogP2.64
Rot. Bonds4

About (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 97224937) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID97224937
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCCN(Cc2cnc3ccccn23)C1
InChIInChI=1S/C17H19N5OS/c23-16(20-17-18-6-9-24-17)13-4-3-7-21(11-13)12-14-10-19-15-5-1-2-8-22(14)15/h1-2,5-6,8-10,13H,3-4,7,11-12H2,(H,18,20,23)/t13-/m0/s1
InChIKeyRJVHIQUVZLCGJI-ZDUSSCGKSA-N
XLogP2.64
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 97224937) is (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)[C@H]1CCCN(Cc2cnc3ccccn23)C1.
What is the InChIKey of (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is RJVHIQUVZLCGJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-16(20-17-18-6-9-24-17)13-4-3-7-21(11-13)12-14-10-19-15-5-1-2-8-22(14)15/h1-2,5-6,8-10,13H,3-4,7,11-12H2,(H,18,20,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97224937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).