[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone

C19H21ClN4OS — CID 124879507

About [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone

[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124879507) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
• PubChem CID: 124879507
• Molecular Formula: C19H21ClN4OS
• Molecular Weight: 388.92 g/mol
• Exact Mass: 388.11
• IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
• SMILES: CC(C)c1sc(Cl)nc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1
• InChI: InChI=1S/C19H21ClN4OS/c1-11(2)16-15(23-19(20)26-16)18(25)24-10-6-5-9-14(24)17-21-12-7-3-4-8-13(12)22-17/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,21,22)/t14-/m0/s1
• InChIKey: UDPZDYZLCRCSAE-AWEZNQCLSA-N
• XLogP: 5.16
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.92
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 124879507) is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1sc(Cl)nc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1.

What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone?

The InChIKey is UDPZDYZLCRCSAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-11(2)16-15(23-19(20)26-16)18(25)24-10-6-5-9-14(24)17-21-12-7-3-4-8-13(12)22-17/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,21,22)/t14-/m0/s1.

What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone?

[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 388.92 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124879507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).