N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C6H2F3N3OS — CID 57440769

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESN#Cc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C6H2F3N3OS/c7-6(8,9)4(13)12-5-11-2-3(1-10)14-5/h2H,(H,11,12,13)
InChIKeyZLYYWPLYZWIANU-UHFFFAOYSA-N
MW221.16 g/mol
LogP1.52
Rot. Bonds1

About N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 57440769) has the molecular formula C6H2F3N3OS and a molecular weight of 221.16 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID57440769
Molecular FormulaC6H2F3N3OS
Molecular Weight221.16 g/mol
Exact Mass220.99
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESN#Cc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C6H2F3N3OS/c7-6(8,9)4(13)12-5-11-2-3(1-10)14-5/h2H,(H,11,12,13)
InChIKeyZLYYWPLYZWIANU-UHFFFAOYSA-N
XLogP1.52
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 57440769) is N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is N#Cc1cnc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZLYYWPLYZWIANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3N3OS/c7-6(8,9)4(13)12-5-11-2-3(1-10)14-5/h2H,(H,11,12,13).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 221.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57440769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).