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

C8H9F3N2O2S — CID 63597934

IUPAC2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1nccs1
InChIInChI=1S/C8H9F3N2O2S/c1-5(6-12-2-3-16-6)13-7(14)15-4-8(9,10)11/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyDEYORKIPFVJZHN-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.49
Rot. Bonds3

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

2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 63597934) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID63597934
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1nccs1
InChIInChI=1S/C8H9F3N2O2S/c1-5(6-12-2-3-16-6)13-7(14)15-4-8(9,10)11/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyDEYORKIPFVJZHN-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
CID 10956191
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
CID 155822810
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244431
(2S)-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 54244432
tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 118297268
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]carbamate
CID 56785116
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 62198446
2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612919
2-[1-(1,3-thiazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64480629

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate (CID 63597934) is 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate is CC(NC(=O)OCC(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is DEYORKIPFVJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5(6-12-2-3-16-6)13-7(14)15-4-8(9,10)11/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 254.23 g/mol, XLogP of 2.49, 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-[1-(1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 63597934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).