N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide

C20H24ClN3O2S — CID 87417610

About N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide (PubChem CID 87417610) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide
• PubChem CID: 87417610
• Molecular Formula: C20H24ClN3O2S
• Molecular Weight: 405.95 g/mol
• Exact Mass: 405.13
• IUPAC Name: N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide
• SMILES: O=C1CC=CC2=CN(C(CC3CCCCC3)C(=O)Nc3ncc(Cl)s3)CC12
• InChI: InChI=1S/C20H24ClN3O2S/c21-18-10-22-20(27-18)23-19(26)16(9-13-5-2-1-3-6-13)24-11-14-7-4-8-17(25)15(14)12-24/h4,7,10-11,13,15-16H,1-3,5-6,8-9,12H2,(H,22,23,26)
• InChIKey: VTXPZEUBAWMAKJ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.95
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide?

The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide (CID 87417610) is N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide.

What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide?

The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide is O=C1CC=CC2=CN(C(CC3CCCCC3)C(=O)Nc3ncc(Cl)s3)CC12.

What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide?

The InChIKey is VTXPZEUBAWMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c21-18-10-22-20(27-18)23-19(26)16(9-13-5-2-1-3-6-13)24-11-14-7-4-8-17(25)15(14)12-24/h4,7,10-11,13,15-16H,1-3,5-6,8-9,12H2,(H,22,23,26).

What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide?

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide has a molecular weight of 405.95 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 87417610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).