2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate

C7H7F3N2O2S — CID 54592535

IUPAC2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2S/c1-4-2-15-5(11-4)12-6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyJMLRQPBJFHTAIT-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.56
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate

2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 54592535) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID54592535
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1csc(NC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2S/c1-4-2-15-5(11-4)12-6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyJMLRQPBJFHTAIT-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 54592535) is 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate is Cc1csc(NC(=O)OCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is JMLRQPBJFHTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-4-2-15-5(11-4)12-6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 240.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 54592535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).