(2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile

C19H12N4OS — CID 95760617

IUPAC(2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile
SMILESN#C[C@@H](C(=O)c1cn2ccccc2n1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H12N4OS/c20-10-14(18(24)15-11-23-9-5-4-8-17(23)21-15)19-22-16(12-25-19)13-6-2-1-3-7-13/h1-9,11-12,14H/t14-/m0/s1
InChIKeyKMRDZXBSYRFVRB-AWEZNQCLSA-N
MW344.40 g/mol
LogP3.95
Rot. Bonds4

About (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile

(2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile (PubChem CID 95760617) has the molecular formula C19H12N4OS and a molecular weight of 344.40 g/mol. Its IUPAC name is (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile.

Molecular Properties

Compound Name(2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile
PubChem CID95760617
Molecular FormulaC19H12N4OS
Molecular Weight344.40 g/mol
Exact Mass344.07
IUPAC Name(2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile
SMILESN#C[C@@H](C(=O)c1cn2ccccc2n1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H12N4OS/c20-10-14(18(24)15-11-23-9-5-4-8-17(23)21-15)19-22-16(12-25-19)13-6-2-1-3-7-13/h1-9,11-12,14H/t14-/m0/s1
InChIKeyKMRDZXBSYRFVRB-AWEZNQCLSA-N
XLogP3.95
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile?
The IUPAC name of (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile (CID 95760617) is (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile.
What is the SMILES notation for (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile?
The canonical SMILES for (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile is N#C[C@@H](C(=O)c1cn2ccccc2n1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile?
The InChIKey is KMRDZXBSYRFVRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H12N4OS/c20-10-14(18(24)15-11-23-9-5-4-8-17(23)21-15)19-22-16(12-25-19)13-6-2-1-3-7-13/h1-9,11-12,14H/t14-/m0/s1.
What are the key properties of (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile?
(2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile has a molecular weight of 344.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-imidazo[1,2-a]pyridin-2-yl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile is sourced from PubChem (CID 95760617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).