pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C17H18N6OS — CID 97274348

About pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97274348) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97274348
• Molecular Formula: C17H18N6OS
• Molecular Weight: 354.44 g/mol
• Exact Mass: 354.13
• IUPAC Name: pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1cnccn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C17H18N6OS/c24-17(15-8-18-3-4-19-15)23-6-1-2-13(9-23)16-20-5-7-22(16)10-14-11-25-12-21-14/h3-5,7-8,11-13H,1-2,6,9-10H2/t13-/m0/s1
• InChIKey: OTPYZABMXPLWDE-ZDUSSCGKSA-N
• XLogP: 2.20
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.44
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97274348) is pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1cnccn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1.

What is the InChIKey of pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is OTPYZABMXPLWDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-17(15-8-18-3-4-19-15)23-6-1-2-13(9-23)16-20-5-7-22(16)10-14-11-25-12-21-14/h3-5,7-8,11-13H,1-2,6,9-10H2/t13-/m0/s1.

What are the key properties of pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 354.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97274348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).