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

C13H12Cl2N2O2S — CID 155521142

IUPAC4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1cccc(Cl)c1)Nc1ncc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O2S/c14-9-3-1-4-10(7-9)19-6-2-5-12(18)17-13-16-8-11(15)20-13/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChIKeyZPDOJULGDJLGDW-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.25
Rot. Bonds6

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

4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide (PubChem CID 155521142) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide
PubChem CID155521142
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1cccc(Cl)c1)Nc1ncc(Cl)s1
InChIInChI=1S/C13H12Cl2N2O2S/c14-9-3-1-4-10(7-9)19-6-2-5-12(18)17-13-16-8-11(15)20-13/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChIKeyZPDOJULGDJLGDW-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
2-(2-chlorophenoxy)-N-(5-methylthiazol-2-yl)acetamide
CID 2673126
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
4-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1568895
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(4-chloro-3-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 2673049
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide (CID 155521142) is 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide is O=C(CCCOc1cccc(Cl)c1)Nc1ncc(Cl)s1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide?
The InChIKey is ZPDOJULGDJLGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c14-9-3-1-4-10(7-9)19-6-2-5-12(18)17-13-16-8-11(15)20-13/h1,3-4,7-8H,2,5-6H2,(H,16,17,18).
What are the key properties of 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide?
4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide has a molecular weight of 331.22 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-(5-chloro-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).