4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide

C14H12ClF3N2O2S — CID 155553849

IUPAC4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1cccc(Cl)c1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H12ClF3N2O2S/c15-9-3-1-4-10(7-9)22-6-2-5-12(21)20-13-19-8-11(23-13)14(16,17)18/h1,3-4,7-8H,2,5-6H2,(H,19,20,21)
InChIKeyVATGTBPKFUARQU-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.61
Rot. Bonds6

About 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide

4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 155553849) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID155553849
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC Name4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1cccc(Cl)c1)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H12ClF3N2O2S/c15-9-3-1-4-10(7-9)22-6-2-5-12(21)20-13-19-8-11(23-13)14(16,17)18/h1,3-4,7-8H,2,5-6H2,(H,19,20,21)
InChIKeyVATGTBPKFUARQU-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 155553849) is 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is O=C(CCCOc1cccc(Cl)c1)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is VATGTBPKFUARQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c15-9-3-1-4-10(7-9)22-6-2-5-12(21)20-13-19-8-11(23-13)14(16,17)18/h1,3-4,7-8H,2,5-6H2,(H,19,20,21).
What are the key properties of 4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
4-(3-chlorophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 364.78 g/mol, XLogP of 4.61, 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-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 155553849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).