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

C15H14ClF3N2O2S — CID 145420136

IUPAC4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C15H14ClF3N2O2S/c1-9-8-20-14(24-9)21-13(22)3-2-6-23-10-4-5-12(16)11(7-10)15(17,18)19/h4-5,7-8H,2-3,6H2,1H3,(H,20,21,22)
InChIKeyVUTNOZRLPFCRAA-UHFFFAOYSA-N
MW378.80 g/mol
LogP4.92
Rot. Bonds6

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

4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420136) has the molecular formula C15H14ClF3N2O2S and a molecular weight of 378.80 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420136
Molecular FormulaC15H14ClF3N2O2S
Molecular Weight378.80 g/mol
Exact Mass378.04
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(Cl)c(C(F)(F)F)c2)s1
InChIInChI=1S/C15H14ClF3N2O2S/c1-9-8-20-14(24-9)21-13(22)3-2-6-23-10-4-5-12(16)11(7-10)15(17,18)19/h4-5,7-8H,2-3,6H2,1H3,(H,20,21,22)
InChIKeyVUTNOZRLPFCRAA-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.80
LogP ≤ 54.92
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

1-[2-(2-Chloro-3-ethoxy-6-fluorophenyl)ethyl]-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
CID 3001161
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
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
4-(3-chloro-4-methyl-phenoxy)-N-(5-chlorothiazol-2-yl)butanamide
CID 145420105
4-(3-chlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420134
4-(4-chloro-3-methyl-phenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 145420135
4-phenoxy-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 145420152
HIV-1 inhibitor-36
CID 145420166
N-(5-methylthiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide
CID 145420175

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420136) is 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccc(Cl)c(C(F)(F)F)c2)s1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is VUTNOZRLPFCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2S/c1-9-8-20-14(24-9)21-13(22)3-2-6-23-10-4-5-12(16)11(7-10)15(17,18)19/h4-5,7-8H,2-3,6H2,1H3,(H,20,21,22).
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 378.80 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).