3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C18H22N6OS — CID 97209859

About 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 97209859) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 97209859
• Molecular Formula: C18H22N6OS
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.16
• IUPAC Name: 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
• SMILES: O=C(CCn1cccn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1
• InChI: InChI=1S/C18H22N6OS/c25-17(4-9-24-8-2-5-21-24)22-7-1-3-15(11-22)18-19-6-10-23(18)12-16-13-26-14-20-16/h2,5-6,8,10,13-15H,1,3-4,7,9,11-12H2/t15-/m0/s1
• InChIKey: WHSQGPPBFGHIJS-HNNXBMFYSA-N
• XLogP: 2.38
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 97209859) is 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

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

The canonical SMILES for 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is O=C(CCn1cccn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1.

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

The InChIKey is WHSQGPPBFGHIJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6OS/c25-17(4-9-24-8-2-5-21-24)22-7-1-3-15(11-22)18-19-6-10-23(18)12-16-13-26-14-20-16/h2,5-6,8,10,13-15H,1,3-4,7,9,11-12H2/t15-/m0/s1.

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

3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 370.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97209859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).