2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate

C8H7F3N2O3S — CID 65173707

IUPAC2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate
SMILESCC(=O)c1csc(NC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3S/c1-4(14)5-2-17-6(12-5)13-7(15)16-3-8(9,10)11/h2H,3H2,1H3,(H,12,13,15)
InChIKeyBEAPYFOYXLGAMH-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.46
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate

2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate (PubChem CID 65173707) has the molecular formula C8H7F3N2O3S and a molecular weight of 268.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate
PubChem CID65173707
Molecular FormulaC8H7F3N2O3S
Molecular Weight268.22 g/mol
Exact Mass268.01
IUPAC Name2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate
SMILESCC(=O)c1csc(NC(=O)OCC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3S/c1-4(14)5-2-17-6(12-5)13-7(15)16-3-8(9,10)11/h2H,3H2,1H3,(H,12,13,15)
InChIKeyBEAPYFOYXLGAMH-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
CID 130441269
1-(2-Amino-1,3-thiazol-4-yl)-2,2,2-trifluoroethanone
CID 153725696
tert-butyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate;tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
CID 157350196
tert-butyl N-(4-carbonofluoridoyl-1,3-thiazol-2-yl)carbamate
CID 172719790
N-(4-acetyl-1,3-thiazol-2-yl)-3,3,3-trifluoropropanamide
CID 60731317
2,2,2-trifluoroethyl N-(4-tert-butyl-1,3-thiazol-2-yl)carbamate
CID 61777499
2,2,2-trifluoroethyl N-[4-(propan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 61777908
N-(4-acetyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 64544831
N-(4-acetyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutanamide
CID 65709946
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260666
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79810911
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998010

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate (CID 65173707) is 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate is CC(=O)c1csc(NC(=O)OCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is BEAPYFOYXLGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3S/c1-4(14)5-2-17-6(12-5)13-7(15)16-3-8(9,10)11/h2H,3H2,1H3,(H,12,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate?
2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 268.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-acetyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 65173707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).