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

C14H12ClN3O2S — CID 155518767

IUPAC4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide
SMILESN#Cc1cnc(NC(=O)CCCOc2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClN3O2S/c15-10-3-1-4-11(7-10)20-6-2-5-13(19)18-14-17-9-12(8-16)21-14/h1,3-4,7,9H,2,5-6H2,(H,17,18,19)
InChIKeyZPCRELNDAGUJMQ-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.47
Rot. Bonds6

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

4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide (PubChem CID 155518767) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide
PubChem CID155518767
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide
SMILESN#Cc1cnc(NC(=O)CCCOc2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClN3O2S/c15-10-3-1-4-11(7-10)20-6-2-5-13(19)18-14-17-9-12(8-16)21-14/h1,3-4,7,9H,2,5-6H2,(H,17,18,19)
InChIKeyZPCRELNDAGUJMQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
2-(2-chlorophenoxy)-N-(5-methylthiazol-2-yl)acetamide
CID 2673126
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(4-chloro-3-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 2673049
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483
N-(5-ethylthiazol-2-yl)-4-phenoxy-butanamide
CID 145420081
N-(5-chlorothiazol-2-yl)-4-phenoxy-butanamide
CID 145420084
N-(5-cyanothiazol-2-yl)-4-phenoxy-butanamide
CID 145420093
4-(2-methoxyphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420104
4-(3-chloro-4-methyl-phenoxy)-N-(5-chlorothiazol-2-yl)butanamide
CID 145420105

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide (CID 155518767) is 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide is N#Cc1cnc(NC(=O)CCCOc2cccc(Cl)c2)s1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide?
The InChIKey is ZPCRELNDAGUJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-10-3-1-4-11(7-10)20-6-2-5-13(19)18-14-17-9-12(8-16)21-14/h1,3-4,7,9H,2,5-6H2,(H,17,18,19).
What are the key properties of 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide?
4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide has a molecular weight of 321.79 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155518767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).