(2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

C16H14N6OS — CID 95625238

IUPAC(2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1
InChIInChI=1S/C16H14N6OS/c1-11(22-10-17-9-18-22)16(23)20-15-14(12-5-4-8-24-12)19-13-6-2-3-7-21(13)15/h2-11H,1H3,(H,20,23)/t11-/m0/s1
InChIKeyWAYXXDUTDOWCTL-NSHDSACASA-N
MW338.40 g/mol
LogP2.85
Rot. Bonds4

About (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 95625238) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID95625238
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name(2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1
InChIInChI=1S/C16H14N6OS/c1-11(22-10-17-9-18-22)16(23)20-15-14(12-5-4-8-24-12)19-13-6-2-3-7-21(13)15/h2-11H,1H3,(H,20,23)/t11-/m0/s1
InChIKeyWAYXXDUTDOWCTL-NSHDSACASA-N
XLogP2.85
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 95625238) is (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1.
What is the InChIKey of (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WAYXXDUTDOWCTL-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N6OS/c1-11(22-10-17-9-18-22)16(23)20-15-14(12-5-4-8-24-12)19-13-6-2-3-7-21(13)15/h2-11H,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 338.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 95625238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).