4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide

C15H15F3N2O2S — CID 47045100

IUPAC4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
SMILESCOCCCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H15F3N2O2S/c1-22-7-3-6-13(21)20-14-19-12(9-23-14)10-4-2-5-11(8-10)15(16,17)18/h2,4-5,8-9H,3,6-7H2,1H3,(H,19,20,21)
InChIKeyZRBBTECBWTWVBN-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.19
Rot. Bonds6

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

4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 47045100) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
PubChem CID47045100
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
SMILESCOCCCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H15F3N2O2S/c1-22-7-3-6-13(21)20-14-19-12(9-23-14)10-4-2-5-11(8-10)15(16,17)18/h2,4-5,8-9H,3,6-7H2,1H3,(H,19,20,21)
InChIKeyZRBBTECBWTWVBN-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.19
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

3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
4-(4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197128
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 78852271
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197145
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl] N-tert-butylcarbamate;methanol
CID 176652783
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19203178
4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 108769761
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide (CID 47045100) is 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide is COCCCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is ZRBBTECBWTWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-22-7-3-6-13(21)20-14-19-12(9-23-14)10-4-2-5-11(8-10)15(16,17)18/h2,4-5,8-9H,3,6-7H2,1H3,(H,19,20,21).
What are the key properties of 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide?
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 344.36 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 47045100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).