1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide

C21H26ClN3O3S2 — CID 90532772

About 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide (PubChem CID 90532772) has the molecular formula C21H26ClN3O3S2 and a molecular weight of 468.04 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide
• PubChem CID: 90532772
• Molecular Formula: C21H26ClN3O3S2
• Molecular Weight: 468.04 g/mol
• Exact Mass: 467.11
• IUPAC Name: 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide
• SMILES: CC(C)S(=O)(=O)N1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)sc2C1
• InChI: InChI=1S/C21H26ClN3O3S2/c1-14(2)30(27,28)25-12-9-17-18(13-25)29-20(23-17)24-19(26)21(10-3-4-11-21)15-5-7-16(22)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,24,26)
• InChIKey: ORFRMASAZUQSFR-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.04
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide (CID 90532772) is 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide is CC(C)S(=O)(=O)N1CCc2nc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)sc2C1.

What is the InChIKey of 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide?

The InChIKey is ORFRMASAZUQSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S2/c1-14(2)30(27,28)25-12-9-17-18(13-25)29-20(23-17)24-19(26)21(10-3-4-11-21)15-5-7-16(22)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,24,26).

What are the key properties of 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide?

1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide has a molecular weight of 468.04 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 90532772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).