N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H19N3O2S2 — CID 110221948

About N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 110221948) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 110221948
• Molecular Formula: C20H19N3O2S2
• Molecular Weight: 397.53 g/mol
• Exact Mass: 397.09
• IUPAC Name: N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: Cc1csc(C(Cc2ccsc2)NC(=O)C2CC(=O)Nc3ccccc32)n1
• InChI: InChI=1S/C20H19N3O2S2/c1-12-10-27-20(21-12)17(8-13-6-7-26-11-13)23-19(25)15-9-18(24)22-16-5-3-2-4-14(15)16/h2-7,10-11,15,17H,8-9H2,1H3,(H,22,24)(H,23,25)
• InChIKey: NQSWCOPQYQKOEG-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.53
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 110221948) is N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1csc(C(Cc2ccsc2)NC(=O)C2CC(=O)Nc3ccccc32)n1.

What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is NQSWCOPQYQKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-12-10-27-20(21-12)17(8-13-6-7-26-11-13)23-19(25)15-9-18(24)22-16-5-3-2-4-14(15)16/h2-7,10-11,15,17H,8-9H2,1H3,(H,22,24)(H,23,25).

What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 110221948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).