N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide

C24H26N4OS2 — CID 55883618

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide (PubChem CID 55883618) has the molecular formula C24H26N4OS2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide
• PubChem CID: 55883618
• Molecular Formula: C24H26N4OS2
• Molecular Weight: 450.63 g/mol
• Exact Mass: 450.15
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccnc1SC1CCCC1
• InChI: InChI=1S/C24H26N4OS2/c29-22(19-11-6-13-25-23(19)30-18-9-4-5-10-18)27-24-26-20-12-14-28(16-21(20)31-24)15-17-7-2-1-3-8-17/h1-3,6-8,11,13,18H,4-5,9-10,12,14-16H2,(H,26,27,29)
• InChIKey: FOROZOVZLAZCHH-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.63
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide (CID 55883618) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide.

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

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccnc1SC1CCCC1.

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

The InChIKey is FOROZOVZLAZCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS2/c29-22(19-11-6-13-25-23(19)30-18-9-4-5-10-18)27-24-26-20-12-14-28(16-21(20)31-24)15-17-7-2-1-3-8-17/h1-3,6-8,11,13,18H,4-5,9-10,12,14-16H2,(H,26,27,29).

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55883618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).