2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

C32H26N4OS2 — CID 23914732

About 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 23914732) has the molecular formula C32H26N4OS2 and a molecular weight of 546.72 g/mol. Its IUPAC name is 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 23914732
• Molecular Formula: C32H26N4OS2
• Molecular Weight: 546.72 g/mol
• Exact Mass: 546.15
• IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
• SMILES: CC(Sc1nc2c(cc1C#N)CC(c1ccccc1)CC2)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
• InChI: InChI=1S/C32H26N4OS2/c1-20(30(37)36-32-35-29(19-38-32)25-12-11-22-9-5-6-10-23(22)15-25)39-31-27(18-33)17-26-16-24(13-14-28(26)34-31)21-7-3-2-4-8-21/h2-12,15,17,19-20,24H,13-14,16H2,1H3,(H,35,36,37)
• InChIKey: UEDWZRLTOPECJH-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.72
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The IUPAC name of 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (CID 23914732) is 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is CC(Sc1nc2c(cc1C#N)CC(c1ccccc1)CC2)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.

What is the InChIKey of 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

The InChIKey is UEDWZRLTOPECJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4OS2/c1-20(30(37)36-32-35-29(19-38-32)25-12-11-22-9-5-6-10-23(22)15-25)39-31-27(18-33)17-26-16-24(13-14-28(26)34-31)21-7-3-2-4-8-21/h2-12,15,17,19-20,24H,13-14,16H2,1H3,(H,35,36,37).

What are the key properties of 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?

2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 546.72 g/mol, XLogP of 7.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23914732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).