N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide

C24H28N2O3S — CID 141106168

About N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide

N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide (PubChem CID 141106168) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide.

Molecular Properties

• Compound Name: N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide
• PubChem CID: 141106168
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide
• SMILES: CCCCc1ccc(OC)c(-c2csc(NC(=O)c3ccc(CCCO)cc3)n2)c1
• InChI: InChI=1S/C24H28N2O3S/c1-3-4-6-18-10-13-22(29-2)20(15-18)21-16-30-24(25-21)26-23(28)19-11-8-17(9-12-19)7-5-14-27/h8-13,15-16,27H,3-7,14H2,1-2H3,(H,25,26,28)
• InChIKey: OHMMIMLWMAPDQS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide?

The IUPAC name of N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide (CID 141106168) is N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide.

What is the SMILES notation for N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide?

The canonical SMILES for N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide is CCCCc1ccc(OC)c(-c2csc(NC(=O)c3ccc(CCCO)cc3)n2)c1.

What is the InChIKey of N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide?

The InChIKey is OHMMIMLWMAPDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-3-4-6-18-10-13-22(29-2)20(15-18)21-16-30-24(25-21)26-23(28)19-11-8-17(9-12-19)7-5-14-27/h8-13,15-16,27H,3-7,14H2,1-2H3,(H,25,26,28).

What are the key properties of N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide?

N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide has a molecular weight of 424.57 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 141106168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).