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

C9H11F3N2O2S — CID 61067669

IUPAC2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CN(C)C(=O)OCC(F)(F)F)s1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-3-7(17-6)4-14(2)8(15)16-5-9(10,11)12/h3H,4-5H2,1-2H3
InChIKeyOYFFAGQAHHVRFG-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.58
Rot. Bonds3

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

2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 61067669) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID61067669
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CN(C)C(=O)OCC(F)(F)F)s1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-3-7(17-6)4-14(2)8(15)16-5-9(10,11)12/h3H,4-5H2,1-2H3
InChIKeyOYFFAGQAHHVRFG-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (CID 61067669) is 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is Cc1ncc(CN(C)C(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is OYFFAGQAHHVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6-13-3-7(17-6)4-14(2)8(15)16-5-9(10,11)12/h3H,4-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 268.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 61067669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).