N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide

C20H17N3O2S2 — CID 42575034

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 42575034) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
• PubChem CID: 42575034
• Molecular Formula: C20H17N3O2S2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.08
• IUPAC Name: N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)c3cc(=O)[nH]c4ccccc34)s2)cs1
• InChI: InChI=1S/C20H17N3O2S2/c1-12-22-17(11-26-12)18-7-6-13(27-18)8-9-21-20(25)15-10-19(24)23-16-5-3-2-4-14(15)16/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,23,24)
• InChIKey: ZVJWUBPMIFWRSQ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 74.85 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	395.51
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?

The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 42575034) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?

The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide is Cc1nc(-c2ccc(CCNC(=O)c3cc(=O)[nH]c4ccccc34)s2)cs1.

What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?

The InChIKey is ZVJWUBPMIFWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-12-22-17(11-26-12)18-7-6-13(27-18)8-9-21-20(25)15-10-19(24)23-16-5-3-2-4-14(15)16/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,23,24).

What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide?

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42575034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).