2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide

C11H8ClFN2OS — CID 132534872

IUPAC2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Nc1cnc(-c2ccccc2)s1)C(F)Cl
InChIInChI=1S/C11H8ClFN2OS/c12-9(13)10(16)15-8-6-14-11(17-8)7-4-2-1-3-5-7/h1-6,9H,(H,15,16)
InChIKeyAYJVBHHBWXNKQA-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.28
Rot. Bonds3

About 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide

2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide (PubChem CID 132534872) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide
PubChem CID132534872
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Nc1cnc(-c2ccccc2)s1)C(F)Cl
InChIInChI=1S/C11H8ClFN2OS/c12-9(13)10(16)15-8-6-14-11(17-8)7-4-2-1-3-5-7/h1-6,9H,(H,15,16)
InChIKeyAYJVBHHBWXNKQA-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.28
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

2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide
CID 2905444
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
CID 97341252
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 177178914
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
(2S)-3-phenyl-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497281
(2R)-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 99777125
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 155272117
2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
CID 67402697
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
2-(2-phenyl-1,3-thiazol-5-yl)benzamide
CID 174783115
3-(2-phenyl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 69008565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide (CID 132534872) is 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide is O=C(Nc1cnc(-c2ccccc2)s1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is AYJVBHHBWXNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c12-9(13)10(16)15-8-6-14-11(17-8)7-4-2-1-3-5-7/h1-6,9H,(H,15,16).
What are the key properties of 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide?
2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 270.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 132534872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).