2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C20H22N4O2S — CID 72897063

About 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 72897063) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 72897063
• Molecular Formula: C20H22N4O2S
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.15
• IUPAC Name: 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: O=C(Cc1cccc(O)c1)N1CCCC(c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C20H22N4O2S/c25-18-5-1-3-15(9-18)10-19(26)23-7-2-4-16(11-23)20-21-6-8-24(20)12-17-13-27-14-22-17/h1,3,5-6,8-9,13-14,16,25H,2,4,7,10-12H2
• InChIKey: CRSRCQILFCMKIJ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 72897063) is 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is O=C(Cc1cccc(O)c1)N1CCCC(c2nccn2Cc2cscn2)C1.

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

The InChIKey is CRSRCQILFCMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-18-5-1-3-15(9-18)10-19(26)23-7-2-4-16(11-23)20-21-6-8-24(20)12-17-13-27-14-22-17/h1,3,5-6,8-9,13-14,16,25H,2,4,7,10-12H2.

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

2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 382.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-hydroxyphenyl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72897063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).