2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate

C7H7F3N2O2S — CID 61066991

IUPAC2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESO=C(NCc1nccs1)OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)4-14-6(13)12-3-5-11-1-2-15-5/h1-2H,3-4H2,(H,12,13)
InChIKeyBONLCYZQPDPDOX-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.93
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate (PubChem CID 61066991) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
PubChem CID61066991
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESO=C(NCc1nccs1)OCC(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)4-14-6(13)12-3-5-11-1-2-15-5/h1-2H,3-4H2,(H,12,13)
InChIKeyBONLCYZQPDPDOX-UHFFFAOYSA-N
XLogP1.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamate
CID 47065587
2,2,2-trifluoroethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 65173800
2,2,2-trifluoroethyl N-[(3-methyl-2-pyridinyl)methyl]carbamate
CID 63373657
2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate
CID 47321938
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62160253
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
2,2,2-trifluoroethyl N-[(2-methoxy-3-pyridinyl)methyl]carbamate
CID 65173933
2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 61382588

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate (CID 61066991) is 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate is O=C(NCc1nccs1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate?
The InChIKey is BONLCYZQPDPDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)4-14-6(13)12-3-5-11-1-2-15-5/h1-2H,3-4H2,(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-(1,3-thiazol-2-ylmethyl)carbamate has a molecular weight of 240.21 g/mol, XLogP of 1.93, 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-(1,3-thiazol-2-ylmethyl)carbamate is sourced from PubChem (CID 61066991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).