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

C16H20N2OS — CID 2701305

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H20N2OS/c1-3-4-5-6-16(19)18-14-9-7-13(8-10-14)15-11-20-12(2)17-15/h7-11H,3-6H2,1-2H3,(H,18,19)
InChIKeyIXZFOADAPGZZFE-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.64
Rot. Bonds6

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide (PubChem CID 2701305) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
PubChem CID2701305
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C16H20N2OS/c1-3-4-5-6-16(19)18-14-9-7-13(8-10-14)15-11-20-12(2)17-15/h7-11H,3-6H2,1-2H3,(H,18,19)
InChIKeyIXZFOADAPGZZFE-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide (CID 2701305) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide?
The InChIKey is IXZFOADAPGZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-4-5-6-16(19)18-14-9-7-13(8-10-14)15-11-20-12(2)17-15/h7-11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide has a molecular weight of 288.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide is sourced from PubChem (CID 2701305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).