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

C17H18N4OS2 — CID 23772485

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

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23772485) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
• PubChem CID: 23772485
• Molecular Formula: C17H18N4OS2
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.09
• IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
• SMILES: Cc1csc(NC(=O)C(C)Sc2nc3c(cc2C#N)CCCC3)n1
• InChI: InChI=1S/C17H18N4OS2/c1-10-9-23-17(19-10)21-15(22)11(2)24-16-13(8-18)7-12-5-3-4-6-14(12)20-16/h7,9,11H,3-6H2,1-2H3,(H,19,21,22)
• InChIKey: SQZCFLOSDYSOAE-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 23772485) is 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

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

The canonical SMILES for 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)Sc2nc3c(cc2C#N)CCCC3)n1.

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

The InChIKey is SQZCFLOSDYSOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-10-9-23-17(19-10)21-15(22)11(2)24-16-13(8-18)7-12-5-3-4-6-14(12)20-16/h7,9,11H,3-6H2,1-2H3,(H,19,21,22).

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

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 358.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23772485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).