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

C17H21N3O2S — CID 18083975

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C17H21N3O2S/c1-3-4-5-6-16(22)20-17-19-15(11-23-17)13-7-9-14(10-8-13)18-12(2)21/h7-11H,3-6H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyGTEVEEQYCXZCOA-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.29
Rot. Bonds7

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide (PubChem CID 18083975) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
PubChem CID18083975
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C17H21N3O2S/c1-3-4-5-6-16(22)20-17-19-15(11-23-17)13-7-9-14(10-8-13)18-12(2)21/h7-11H,3-6H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyGTEVEEQYCXZCOA-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide (CID 18083975) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide is CCCCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide?
The InChIKey is GTEVEEQYCXZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-4-5-6-16(22)20-17-19-15(11-23-17)13-7-9-14(10-8-13)18-12(2)21/h7-11H,3-6H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide has a molecular weight of 331.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 18083975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).