[2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate

C15H15F3N2O2S — CID 77289493

IUPAC[2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate
SMILESCc1ncc(C(OC(=O)NC(C)c2ccccc2)C(F)(F)F)s1
InChIInChI=1S/C15H15F3N2O2S/c1-9(11-6-4-3-5-7-11)20-14(21)22-13(15(16,17)18)12-8-19-10(2)23-12/h3-9,13H,1-2H3,(H,20,21)
InChIKeyJQMSRASWHWDMRG-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.54
Rot. Bonds4

About [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate

[2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate (PubChem CID 77289493) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate
PubChem CID77289493
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name[2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate
SMILESCc1ncc(C(OC(=O)NC(C)c2ccccc2)C(F)(F)F)s1
InChIInChI=1S/C15H15F3N2O2S/c1-9(11-6-4-3-5-7-11)20-14(21)22-13(15(16,17)18)12-8-19-10(2)23-12/h3-9,13H,1-2H3,(H,20,21)
InChIKeyJQMSRASWHWDMRG-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate?
The IUPAC name of [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate (CID 77289493) is [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate.
What is the SMILES notation for [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate?
The canonical SMILES for [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate is Cc1ncc(C(OC(=O)NC(C)c2ccccc2)C(F)(F)F)s1.
What is the InChIKey of [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate?
The InChIKey is JQMSRASWHWDMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-9(11-6-4-3-5-7-11)20-14(21)22-13(15(16,17)18)12-8-19-10(2)23-12/h3-9,13H,1-2H3,(H,20,21).
What are the key properties of [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate?
[2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate has a molecular weight of 344.36 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethyl] N-(1-phenylethyl)carbamate is sourced from PubChem (CID 77289493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).