2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C23H17Cl2N7O2S3 — CID 23829753

About 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 23829753) has the molecular formula C23H17Cl2N7O2S3 and a molecular weight of 590.54 g/mol. Its IUPAC name is 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 23829753
• Molecular Formula: C23H17Cl2N7O2S3
• Molecular Weight: 590.54 g/mol
• Exact Mass: 589.00
• IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: N#CC1=C(N)N(c2nnc(SCC(=O)Nc3nccs3)s2)C2=C(C(=O)CCC2)C1c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H17Cl2N7O2S3/c24-13-5-4-11(8-14(13)25)18-12(9-26)20(27)32(15-2-1-3-16(33)19(15)18)22-30-31-23(37-22)36-10-17(34)29-21-28-6-7-35-21/h4-8,18H,1-3,10,27H2,(H,28,29,34)
• InChIKey: WFVQAZHQOLGSPU-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 137.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	590.54
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 23829753) is 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is N#CC1=C(N)N(c2nnc(SCC(=O)Nc3nccs3)s2)C2=C(C(=O)CCC2)C1c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is WFVQAZHQOLGSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N7O2S3/c24-13-5-4-11(8-14(13)25)18-12(9-26)20(27)32(15-2-1-3-16(33)19(15)18)22-30-31-23(37-22)36-10-17(34)29-21-28-6-7-35-21/h4-8,18H,1-3,10,27H2,(H,28,29,34).

What are the key properties of 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?

2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 590.54 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23829753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).