N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C24H21N3O3S3 — CID 16564184

About N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 16564184) has the molecular formula C24H21N3O3S3 and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 16564184
• Molecular Formula: C24H21N3O3S3
• Molecular Weight: 495.65 g/mol
• Exact Mass: 495.07
• IUPAC Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• SMILES: Cc1c(-c2ccccc2)sc(NC(=O)c2csc(-c3cccs3)n2)c1C(=O)N1CCOCC1
• InChI: InChI=1S/C24H21N3O3S3/c1-15-19(24(29)27-9-11-30-12-10-27)23(33-20(15)16-6-3-2-4-7-16)26-21(28)17-14-32-22(25-17)18-8-5-13-31-18/h2-8,13-14H,9-12H2,1H3,(H,26,28)
• InChIKey: PTEKMLXGCUABFS-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.65
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 16564184) is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is Cc1c(-c2ccccc2)sc(NC(=O)c2csc(-c3cccs3)n2)c1C(=O)N1CCOCC1.

What is the InChIKey of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is PTEKMLXGCUABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S3/c1-15-19(24(29)27-9-11-30-12-10-27)23(33-20(15)16-6-3-2-4-7-16)26-21(28)17-14-32-22(25-17)18-8-5-13-31-18/h2-8,13-14H,9-12H2,1H3,(H,26,28).

What are the key properties of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16564184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).