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

C18H19N5O2S — CID 70745460

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

(3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70745460) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 70745460
• Molecular Formula: C18H19N5O2S
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.13
• IUPAC Name: (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ncccc1O)N1CCC(c2nccn2Cc2cscn2)CC1
• InChI: InChI=1S/C18H19N5O2S/c24-15-2-1-5-19-16(15)18(25)22-7-3-13(4-8-22)17-20-6-9-23(17)10-14-11-26-12-21-14/h1-2,5-6,9,11-13,24H,3-4,7-8,10H2
• InChIKey: HXMTZVZDUYAQQY-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70745460) is (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ncccc1O)N1CCC(c2nccn2Cc2cscn2)CC1.

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

The InChIKey is HXMTZVZDUYAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-15-2-1-5-19-16(15)18(25)22-7-3-13(4-8-22)17-20-6-9-23(17)10-14-11-26-12-21-14/h1-2,5-6,9,11-13,24H,3-4,7-8,10H2.

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

(3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 369.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-2-pyridinyl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70745460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).