2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide

C7H4ClF3N2O2S — CID 166431921

IUPAC2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H4ClF3N2O2S/c8-1-4(14)13-6-12-2-3(16-6)5(15)7(9,10)11/h2H,1H2,(H,12,13,14)
InChIKeyFNOXJHOONAARHQ-UHFFFAOYSA-N
MW272.64 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide

2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 166431921) has the molecular formula C7H4ClF3N2O2S and a molecular weight of 272.64 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide
PubChem CID166431921
Molecular FormulaC7H4ClF3N2O2S
Molecular Weight272.64 g/mol
Exact Mass271.96
IUPAC Name2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H4ClF3N2O2S/c8-1-4(14)13-6-12-2-3(16-6)5(15)7(9,10)11/h2H,1H2,(H,12,13,14)
InChIKeyFNOXJHOONAARHQ-UHFFFAOYSA-N
XLogP2.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.64
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide (CID 166431921) is 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide is O=C(CCl)Nc1ncc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FNOXJHOONAARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2S/c8-1-4(14)13-6-12-2-3(16-6)5(15)7(9,10)11/h2H,1H2,(H,12,13,14).
What are the key properties of 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 272.64 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166431921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).