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

C11H14F3N3O3S — CID 78904928

IUPAC2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCc1nc(CCNC(=O)CNC(=O)OCC(F)(F)F)cs1
InChIInChI=1S/C11H14F3N3O3S/c1-7-17-8(5-21-7)2-3-15-9(18)4-16-10(19)20-6-11(12,13)14/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyQWEZDVVMFIEDBJ-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.40
Rot. Bonds6

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

2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 78904928) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate
PubChem CID78904928
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCc1nc(CCNC(=O)CNC(=O)OCC(F)(F)F)cs1
InChIInChI=1S/C11H14F3N3O3S/c1-7-17-8(5-21-7)2-3-15-9(18)4-16-10(19)20-6-11(12,13)14/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19)
InChIKeyQWEZDVVMFIEDBJ-UHFFFAOYSA-N
XLogP1.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate (CID 78904928) is 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate is Cc1nc(CCNC(=O)CNC(=O)OCC(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is QWEZDVVMFIEDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-7-17-8(5-21-7)2-3-15-9(18)4-16-10(19)20-6-11(12,13)14/h5H,2-4,6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 325.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 78904928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).