2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide

C17H21N3O2S — CID 110342257

IUPAC2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cc1csc(-c2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-4-8-18-16(22)10-15-11-23-17(20-15)13-6-5-7-14(9-13)19-12(2)21/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyJLRQGHJQUZLQCZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.23
Rot. Bonds7

About 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide

2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide (PubChem CID 110342257) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
PubChem CID110342257
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
SMILESCCCCNC(=O)Cc1csc(-c2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H21N3O2S/c1-3-4-8-18-16(22)10-15-11-23-17(20-15)13-6-5-7-14(9-13)19-12(2)21/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyJLRQGHJQUZLQCZ-UHFFFAOYSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
CID 110342259
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110351971
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 110450412
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211433

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide?
The IUPAC name of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide (CID 110342257) is 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide.
What is the SMILES notation for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide?
The canonical SMILES for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide is CCCCNC(=O)Cc1csc(-c2cccc(NC(C)=O)c2)n1.
What is the InChIKey of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide?
The InChIKey is JLRQGHJQUZLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-4-8-18-16(22)10-15-11-23-17(20-15)13-6-5-7-14(9-13)19-12(2)21/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide?
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide has a molecular weight of 331.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide is sourced from PubChem (CID 110342257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).