4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C19H20N2O2S2 — CID 19488696

About 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 19488696) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
• PubChem CID: 19488696
• Molecular Formula: C19H20N2O2S2
• Molecular Weight: 372.52 g/mol
• Exact Mass: 372.10
• IUPAC Name: 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
• SMILES: Cc1cccc(C)c1OCc1csc(C(=O)Nc2nc(C)c(C)s2)c1
• InChI: InChI=1S/C19H20N2O2S2/c1-11-6-5-7-12(2)17(11)23-9-15-8-16(24-10-15)18(22)21-19-20-13(3)14(4)25-19/h5-8,10H,9H2,1-4H3,(H,20,21,22)
• InChIKey: ZYVPKPVUZSLWSA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.52
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?

The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 19488696) is 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1cccc(C)c1OCc1csc(C(=O)Nc2nc(C)c(C)s2)c1.

What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?

The InChIKey is ZYVPKPVUZSLWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-11-6-5-7-12(2)17(11)23-9-15-8-16(24-10-15)18(22)21-19-20-13(3)14(4)25-19/h5-8,10H,9H2,1-4H3,(H,20,21,22).

What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?

4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19488696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).