(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C19H21N5OS — CID 97197914

About (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97197914) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 97197914
• Molecular Formula: C19H21N5OS
• Molecular Weight: 367.48 g/mol
• Exact Mass: 367.15
• IUPAC Name: (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1nc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cs1
• InChI: InChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)24-8-3-5-16(12-24)18-21-7-9-23(18)11-15-4-2-6-20-10-15/h2,4,6-7,9-10,13,16H,3,5,8,11-12H2,1H3/t16-/m1/s1
• InChIKey: KFHITCBVHIMYHI-MRXNPFEDSA-N
• XLogP: 3.11
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.48
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97197914) is (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cs1.

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

The InChIKey is KFHITCBVHIMYHI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)24-8-3-5-16(12-24)18-21-7-9-23(18)11-15-4-2-6-20-10-15/h2,4,6-7,9-10,13,16H,3,5,8,11-12H2,1H3/t16-/m1/s1.

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

(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 367.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97197914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).