N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide

C21H20N2O3S — CID 110329647

About N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 110329647) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
• PubChem CID: 110329647
• Molecular Formula: C21H20N2O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1cccc(-c2nc(C)c(CC(=O)NCc3ccc4c(c3)OCO4)s2)c1
• InChI: InChI=1S/C21H20N2O3S/c1-13-4-3-5-16(8-13)21-23-14(2)19(27-21)10-20(24)22-11-15-6-7-17-18(9-15)26-12-25-17/h3-9H,10-12H2,1-2H3,(H,22,24)
• InChIKey: UATMCCSRKHTTPT-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 110329647) is N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1cccc(-c2nc(C)c(CC(=O)NCc3ccc4c(c3)OCO4)s2)c1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?

The InChIKey is UATMCCSRKHTTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-4-3-5-16(8-13)21-23-14(2)19(27-21)10-20(24)22-11-15-6-7-17-18(9-15)26-12-25-17/h3-9H,10-12H2,1-2H3,(H,22,24).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide?

N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 110329647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).