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

C15H19N3OS — CID 2569414

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-2-3-4-5-14(19)17-12-8-6-11(7-9-12)13-10-20-15(16)18-13/h6-10H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDHOLANZQZREZAL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.91
Rot. Bonds6

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

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide (PubChem CID 2569414) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide
PubChem CID2569414
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-2-3-4-5-14(19)17-12-8-6-11(7-9-12)13-10-20-15(16)18-13/h6-10H,2-5H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDHOLANZQZREZAL-UHFFFAOYSA-N
XLogP3.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-amino-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-amino-1,3-thiazol-4-yl)phenyl]hexanamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide (CID 2569414) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide?
The InChIKey is DHOLANZQZREZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-3-4-5-14(19)17-12-8-6-11(7-9-12)13-10-20-15(16)18-13/h6-10H,2-5H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide has a molecular weight of 289.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]hexanamide is sourced from PubChem (CID 2569414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).