N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C19H19N3O3S2 — CID 46563409

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 46563409) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 46563409
• Molecular Formula: C19H19N3O3S2
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.09
• IUPAC Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
• SMILES: COc1cccc(NC(=O)CN(C)C(=O)c2sc(-c3ccsc3)nc2C)c1
• InChI: InChI=1S/C19H19N3O3S2/c1-12-17(27-18(20-12)13-7-8-26-11-13)19(24)22(2)10-16(23)21-14-5-4-6-15(9-14)25-3/h4-9,11H,10H2,1-3H3,(H,21,23)
• InChIKey: GAHVRXBDSQIXQG-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 46563409) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2sc(-c3ccsc3)nc2C)c1.

What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?

The InChIKey is GAHVRXBDSQIXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12-17(27-18(20-12)13-7-8-26-11-13)19(24)22(2)10-16(23)21-14-5-4-6-15(9-14)25-3/h4-9,11H,10H2,1-3H3,(H,21,23).

What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?

N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46563409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).