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

C23H22N4O2S2 — CID 23886678

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

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23886678) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 23886678
• Molecular Formula: C23H22N4O2S2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.12
• IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
• SMILES: COc1ccccc1-c1csc(NC(=O)C(C)Sc2nc3c(cc2C#N)CCCC3)n1
• InChI: InChI=1S/C23H22N4O2S2/c1-14(31-22-16(12-24)11-15-7-3-5-9-18(15)25-22)21(28)27-23-26-19(13-30-23)17-8-4-6-10-20(17)29-2/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3,(H,26,27,28)
• InChIKey: UAJUNUJIXDYICA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 23886678) is 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is COc1ccccc1-c1csc(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-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is UAJUNUJIXDYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-14(31-22-16(12-24)11-15-7-3-5-9-18(15)25-22)21(28)27-23-26-19(13-30-23)17-8-4-6-10-20(17)29-2/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3,(H,26,27,28).

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

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 450.59 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23886678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).