2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate

C8H9F3N2O2S — CID 65174001

IUPAC2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate
SMILESO=C(NCCc1cscn1)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)4-15-7(14)12-2-1-6-3-16-5-13-6/h3,5H,1-2,4H2,(H,12,14)
InChIKeyZBOXRMHCLZEMOU-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.97
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 65174001) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID65174001
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate
SMILESO=C(NCCc1cscn1)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)4-15-7(14)12-2-1-6-3-16-5-13-6/h3,5H,1-2,4H2,(H,12,14)
InChIKeyZBOXRMHCLZEMOU-UHFFFAOYSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
CID 45835478
2,2,2-trifluoroethyl N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]carbamate
CID 56826240
2,2,2-trifluoroethyl N-(1,3-thiazol-4-ylmethyl)carbamate
CID 62198269
2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
CID 63096978
2,2,2-trifluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 63939655
2,2,2-trifluoroethyl N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
CID 65173856
2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate
CID 78904928
N-[2-(1,3-thiazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957966
2-(2,2,3,3-Tetrafluoropropoxy)-N-[2-(1,3-thiazol-4-YL)ethyl]acetamide
CID 91770194
2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 103515491
2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 103733646
tert-butyl N-[2,2-difluoro-3-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 104955549

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate (CID 65174001) is 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate is O=C(NCCc1cscn1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is ZBOXRMHCLZEMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)4-15-7(14)12-2-1-6-3-16-5-13-6/h3,5H,1-2,4H2,(H,12,14).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-(1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 254.23 g/mol, XLogP of 1.97, 4 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-(1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 65174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).