[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C16H23N5OS — CID 95606545

About [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 95606545) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
• PubChem CID: 95606545
• Molecular Formula: C16H23N5OS
• Molecular Weight: 333.46 g/mol
• Exact Mass: 333.16
• IUPAC Name: [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
• SMILES: CCc1nccn1[C@H]1CCCN(C(=O)c2c(C)nsc2NC)C1
• InChI: InChI=1S/C16H23N5OS/c1-4-13-18-7-9-21(13)12-6-5-8-20(10-12)16(22)14-11(2)19-23-15(14)17-3/h7,9,12,17H,4-6,8,10H2,1-3H3/t12-/m0/s1
• InChIKey: AZNNGAWUVJSHBB-LBPRGKRZSA-N
• XLogP: 2.73
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.46
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?

The IUPAC name of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 95606545) is [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

What is the SMILES notation for [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?

The canonical SMILES for [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CCc1nccn1[C@H]1CCCN(C(=O)c2c(C)nsc2NC)C1.

What is the InChIKey of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?

The InChIKey is AZNNGAWUVJSHBB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-13-18-7-9-21(13)12-6-5-8-20(10-12)16(22)14-11(2)19-23-15(14)17-3/h7,9,12,17H,4-6,8,10H2,1-3H3/t12-/m0/s1.

What are the key properties of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?

[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 333.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 95606545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).