2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C23H22N4OS2 — CID 78772840

About 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 78772840) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
• PubChem CID: 78772840
• Molecular Formula: C23H22N4OS2
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.12
• IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
• SMILES: CCN1CCc2nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)sc2C1
• InChI: InChI=1S/C23H22N4OS2/c1-2-27-12-11-19-21(14-27)30-23(25-19)26-22(28)18-5-3-4-6-20(18)29-15-17-9-7-16(13-24)8-10-17/h3-10H,2,11-12,14-15H2,1H3,(H,25,26,28)
• InChIKey: MIFCHQOLHPAFPF-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 69.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?

The IUPAC name of 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 78772840) is 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

What is the SMILES notation for 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?

The canonical SMILES for 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CCN1CCc2nc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)sc2C1.

What is the InChIKey of 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?

The InChIKey is MIFCHQOLHPAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-2-27-12-11-19-21(14-27)30-23(25-19)26-22(28)18-5-3-4-6-20(18)29-15-17-9-7-16(13-24)8-10-17/h3-10H,2,11-12,14-15H2,1H3,(H,25,26,28).

What are the key properties of 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?

2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 434.59 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyanophenyl)methylsulfanyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 78772840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).