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

C16H16ClF3N2OS — CID 7163676

IUPAC4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
SMILESO=C(CCCCl)NCCc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16ClF3N2OS/c17-7-2-5-14(23)21-8-6-13-10-24-15(22-13)11-3-1-4-12(9-11)16(18,19)20/h1,3-4,9-10H,2,5-8H2,(H,21,23)
InChIKeyTWSVLCZWGSGIRD-UHFFFAOYSA-N
MW376.83 g/mol
LogP4.51
Rot. Bonds7

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

4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide (PubChem CID 7163676) has the molecular formula C16H16ClF3N2OS and a molecular weight of 376.83 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
PubChem CID7163676
Molecular FormulaC16H16ClF3N2OS
Molecular Weight376.83 g/mol
Exact Mass376.06
IUPAC Name4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
SMILESO=C(CCCCl)NCCc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16ClF3N2OS/c17-7-2-5-14(23)21-8-6-13-10-24-15(22-13)11-3-1-4-12(9-11)16(18,19)20/h1,3-4,9-10H,2,5-8H2,(H,21,23)
InChIKeyTWSVLCZWGSGIRD-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515765
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120831654
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
3-(2-amino-1,3-thiazol-4-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 74249722
2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7163678
2-(4-chlorophenoxy)-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7216597
4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]benzoic acid
CID 53353917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide (CID 7163676) is 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide is O=C(CCCCl)NCCc1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
The InChIKey is TWSVLCZWGSGIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2OS/c17-7-2-5-14(23)21-8-6-13-10-24-15(22-13)11-3-1-4-12(9-11)16(18,19)20/h1,3-4,9-10H,2,5-8H2,(H,21,23).
What are the key properties of 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide?
4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide has a molecular weight of 376.83 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide is sourced from PubChem (CID 7163676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).