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

C8H9F3N2O2S — CID 47065587

IUPAC2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
SMILESCc1nc(CNC(=O)OCC(F)(F)F)cs1
InChIInChI=1S/C8H9F3N2O2S/c1-5-13-6(3-16-5)2-12-7(14)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14)
InChIKeyVEGZGEGCDQXYLN-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.24
Rot. Bonds3

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

2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate (PubChem CID 47065587) 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-4-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
PubChem CID47065587
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
SMILESCc1nc(CNC(=O)OCC(F)(F)F)cs1
InChIInChI=1S/C8H9F3N2O2S/c1-5-13-6(3-16-5)2-12-7(14)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14)
InChIKeyVEGZGEGCDQXYLN-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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Related Compounds

2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
CID 61066991
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
(Z)-2,3-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobut-2-enoic acid
CID 55169840
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
tert-butyl N-[(E)-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107252707

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate (CID 47065587) is 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate is Cc1nc(CNC(=O)OCC(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate?
The InChIKey is VEGZGEGCDQXYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5-13-6(3-16-5)2-12-7(14)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-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-4-yl)methyl]carbamate is sourced from PubChem (CID 47065587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).