[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone

C16H22N6OS — CID 56802649

About [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone

[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 56802649) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

• Compound Name: [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
• PubChem CID: 56802649
• Molecular Formula: C16H22N6OS
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.16
• IUPAC Name: [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
• SMILES: Cc1nc(-c2ncn[nH]2)sc1C(=O)N1CCCC1C1CCCN1C
• InChI: InChI=1S/C16H22N6OS/c1-10-13(24-15(19-10)14-17-9-18-20-14)16(23)22-8-4-6-12(22)11-5-3-7-21(11)2/h9,11-12H,3-8H2,1-2H3,(H,17,18,20)
• InChIKey: IHOXSUAGIRKKQN-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?

The IUPAC name of [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone (CID 56802649) is [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone.

What is the SMILES notation for [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?

The canonical SMILES for [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ncn[nH]2)sc1C(=O)N1CCCC1C1CCCN1C.

What is the InChIKey of [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?

The InChIKey is IHOXSUAGIRKKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-10-13(24-15(19-10)14-17-9-18-20-14)16(23)22-8-4-6-12(22)11-5-3-7-21(11)2/h9,11-12H,3-8H2,1-2H3,(H,17,18,20).

What are the key properties of [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?

[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 56802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).