[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

C24H25N5OS — CID 46491382

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 46491382) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
• PubChem CID: 46491382
• Molecular Formula: C24H25N5OS
• Molecular Weight: 431.57 g/mol
• Exact Mass: 431.18
• IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
• SMILES: CC(C)c1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1ccccn1
• InChI: InChI=1S/C24H25N5OS/c1-16(2)22-18(15-26-29(22)21-9-5-6-12-25-21)24(30)28-13-10-17(11-14-28)23-27-19-7-3-4-8-20(19)31-23/h3-9,12,15-17H,10-11,13-14H2,1-2H3
• InChIKey: FEIRWKSLTWWHFL-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?

The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 46491382) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone.

What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?

The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is CC(C)c1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1ccccn1.

What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?

The InChIKey is FEIRWKSLTWWHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-16(2)22-18(15-26-29(22)21-9-5-6-12-25-21)24(30)28-13-10-17(11-14-28)23-27-19-7-3-4-8-20(19)31-23/h3-9,12,15-17H,10-11,13-14H2,1-2H3.

What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone?

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 431.57 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 46491382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).