N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide

C14H13N3O2S — CID 145420093

IUPACN-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESN#Cc1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C14H13N3O2S/c15-9-12-10-16-14(20-12)17-13(18)7-4-8-19-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,16,17,18)
InChIKeyFSSKJYAKNOXFJJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.81
Rot. Bonds6

About N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide

N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide (PubChem CID 145420093) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide
PubChem CID145420093
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESN#Cc1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C14H13N3O2S/c15-9-12-10-16-14(20-12)17-13(18)7-4-8-19-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,16,17,18)
InChIKeyFSSKJYAKNOXFJJ-UHFFFAOYSA-N
XLogP2.81
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide 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

2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
N1-(1,3-thiazol-2-yl)-3-(4-fluorophenoxy)propanamide
CID 2739506
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 977973
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
4-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1568895
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide (CID 145420093) is N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide is N#Cc1cnc(NC(=O)CCCOc2ccccc2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The InChIKey is FSSKJYAKNOXFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-9-12-10-16-14(20-12)17-13(18)7-4-8-19-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-8H2,(H,16,17,18).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide?
N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide has a molecular weight of 287.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 145420093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).