2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate

C8H9F3N2O2S — CID 61382492

IUPAC2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C8H9F3N2O2S/c1-5-12-2-6(16-5)3-13-7(14)15-4-8(9,10)11/h2H,3-4H2,1H3,(H,13,14)
InChIKeyKFXSLNRHHLBDGO-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.24
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 61382492) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID61382492
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CNC(=O)OCC(F)(F)F)s1
InChIInChI=1S/C8H9F3N2O2S/c1-5-12-2-6(16-5)3-13-7(14)15-4-8(9,10)11/h2H,3-4H2,1H3,(H,13,14)
InChIKeyKFXSLNRHHLBDGO-UHFFFAOYSA-N
XLogP2.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.24
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-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (CID 61382492) is 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is Cc1ncc(CNC(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is KFXSLNRHHLBDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5-12-2-6(16-5)3-13-7(14)15-4-8(9,10)11/h2H,3-4H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 254.23 g/mol, XLogP of 2.24, 3 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-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 61382492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).