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

C9H11F3N2O2S — CID 63096978

IUPAC2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCc1csc(C(C)NC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2S/c1-5-3-17-7(13-5)6(2)14-8(15)16-4-9(10,11)12/h3,6H,4H2,1-2H3,(H,14,15)
InChIKeyUFSMUXLLUPACHN-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.80
Rot. Bonds3

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

2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 63096978) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID63096978
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate
SMILESCc1csc(C(C)NC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2S/c1-5-3-17-7(13-5)6(2)14-8(15)16-4-9(10,11)12/h3,6H,4H2,1-2H3,(H,14,15)
InChIKeyUFSMUXLLUPACHN-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]ethyl]carbamate
CID 53617913
Methyl (1-methyl-2-{[3-(4-methyl-1,3-thiazol-2-yl)propyl]amino}-2-oxoethyl)carbamate
CID 91792373
N-(2-methoxyethyl)-2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]acetamide
CID 96563635
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
ethyl (3S)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125438150
ethyl (3S)-3-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrrolidine-1-carboxylate
CID 125448098
1-[3-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]azetidin-1-yl]ethanone
CID 164633629
2-(tert-Butoxycarbonylamino)methyl-4-fluoromethylthiazole
CID 22916662
tert-Butyl N-[[4-(difluoromethyl)thiazol-2-yl]methyl]carbamate
CID 22916716
2,2,2-Trifluoro-N-(2-(4-methylthiazol-2-yl)ethyl)acetamide
CID 39072071
4-methyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-2-carboxamide
CID 123752281
tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 130441254

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate (CID 63096978) is 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate is Cc1csc(C(C)NC(=O)OCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is UFSMUXLLUPACHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-5-3-17-7(13-5)6(2)14-8(15)16-4-9(10,11)12/h3,6H,4H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 268.26 g/mol, XLogP of 2.80, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 63096978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).