2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide

C7H6ClF3N2OS — CID 146107361

IUPAC2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(CCl)NC(c1nccs1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2OS/c8-3-4(14)13-5(7(9,10)11)6-12-1-2-15-6/h1-2,5H,3H2,(H,13,14)
InChIKeyQGJVESJEOUZPHE-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.10
Rot. Bonds3

About 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide

2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 146107361) has the molecular formula C7H6ClF3N2OS and a molecular weight of 258.65 g/mol. Its IUPAC name is 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID146107361
Molecular FormulaC7H6ClF3N2OS
Molecular Weight258.65 g/mol
Exact Mass257.98
IUPAC Name2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(CCl)NC(c1nccs1)C(F)(F)F
InChIInChI=1S/C7H6ClF3N2OS/c8-3-4(14)13-5(7(9,10)11)6-12-1-2-15-6/h1-2,5H,3H2,(H,13,14)
InChIKeyQGJVESJEOUZPHE-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.10
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

5-hydroxy-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 136548965
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
(3aS,6aR)-2-[[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122094312
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
CID 104578211
3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 124606976
2-(aminomethyl)-2-ethyl-N-[1-(1,3-thiazol-2-yl)ethyl]butanamide
CID 113308977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 146107361) is 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide is O=C(CCl)NC(c1nccs1)C(F)(F)F.
What is the InChIKey of 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is QGJVESJEOUZPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2OS/c8-3-4(14)13-5(7(9,10)11)6-12-1-2-15-6/h1-2,5H,3H2,(H,13,14).
What are the key properties of 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 258.65 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 146107361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).