5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile

C19H18N6OS — CID 97285252

About 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile

5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 97285252) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
• PubChem CID: 97285252
• Molecular Formula: C19H18N6OS
• Molecular Weight: 378.46 g/mol
• Exact Mass: 378.13
• IUPAC Name: 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
• SMILES: N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)cn1
• InChI: InChI=1S/C19H18N6OS/c20-8-16-4-3-14(9-22-16)19(26)25-6-1-2-15(10-25)18-21-5-7-24(18)11-17-12-27-13-23-17/h3-5,7,9,12-13,15H,1-2,6,10-11H2/t15-/m0/s1
• InChIKey: NRWJNVVCPKMFOZ-HNNXBMFYSA-N
• XLogP: 2.67
• TPSA: 87.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.46
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?

The IUPAC name of 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile (CID 97285252) is 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile is N#Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)cn1.

What is the InChIKey of 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?

The InChIKey is NRWJNVVCPKMFOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N6OS/c20-8-16-4-3-14(9-22-16)19(26)25-6-1-2-15(10-25)18-21-5-7-24(18)11-17-12-27-13-23-17/h3-5,7,9,12-13,15H,1-2,6,10-11H2/t15-/m0/s1.

What are the key properties of 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile?

5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 378.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 97285252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).