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

C15H12F3N3O2S — CID 155543987

IUPAC4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESN#Cc1cccc(OCCCC(=O)Nc2ncc(C(F)(F)F)s2)c1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)12-9-20-14(24-12)21-13(22)5-2-6-23-11-4-1-3-10(7-11)8-19/h1,3-4,7,9H,2,5-6H2,(H,20,21,22)
InChIKeyKBURQOUKVMBEBU-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.83
Rot. Bonds6

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

4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 155543987) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID155543987
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
SMILESN#Cc1cccc(OCCCC(=O)Nc2ncc(C(F)(F)F)s2)c1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)12-9-20-14(24-12)21-13(22)5-2-6-23-11-4-1-3-10(7-11)8-19/h1,3-4,7,9H,2,5-6H2,(H,20,21,22)
InChIKeyKBURQOUKVMBEBU-UHFFFAOYSA-N
XLogP3.83
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide (CID 155543987) is 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is N#Cc1cccc(OCCCC(=O)Nc2ncc(C(F)(F)F)s2)c1.
What is the InChIKey of 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is KBURQOUKVMBEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c16-15(17,18)12-9-20-14(24-12)21-13(22)5-2-6-23-11-4-1-3-10(7-11)8-19/h1,3-4,7,9H,2,5-6H2,(H,20,21,22).
What are the key properties of 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide?
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 355.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 155543987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).