2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C7H8ClFN2OS — CID 166427927

IUPAC2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C)C(=O)C(F)Cl)n1
InChIInChI=1S/C7H8ClFN2OS/c1-4-3-13-7(10-4)11(2)6(12)5(8)9/h3,5H,1-2H3
InChIKeyVDUPEFXOTYLUPJ-UHFFFAOYSA-N
MW222.67 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 166427927) has the molecular formula C7H8ClFN2OS and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID166427927
Molecular FormulaC7H8ClFN2OS
Molecular Weight222.67 g/mol
Exact Mass222.00
IUPAC Name2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C)C(=O)C(F)Cl)n1
InChIInChI=1S/C7H8ClFN2OS/c1-4-3-13-7(10-4)11(2)6(12)5(8)9/h3,5H,1-2H3
InChIKeyVDUPEFXOTYLUPJ-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-4-chloromethylthiazole
CID 81963
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 2081014
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4286777
2,2,2-Trifluoro-N-methyl-N-(4-methyl-thiazol-2-yl)-acetamide
CID 12954409
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 14962253
4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 60893134
4-(chloromethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine hydrochloride
CID 71755861
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine
CID 107489976
N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107490609
4-(chloromethyl)-N-(2,2-difluoroethyl)-N-methyl-1,3-thiazol-2-amine
CID 116316512
N-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl chloride
CID 165824650

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 166427927) is 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(N(C)C(=O)C(F)Cl)n1.
What is the InChIKey of 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VDUPEFXOTYLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2OS/c1-4-3-13-7(10-4)11(2)6(12)5(8)9/h3,5H,1-2H3.
What are the key properties of 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 222.67 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 166427927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).