tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate

C11H14F3N3O3S — CID 75490701

IUPACtert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C11H14F3N3O3S/c1-9(2,3)20-8(19)16-10(11(12,13)14)6(18)17-4-5-21-7(17)15-10/h4-5H2,1-3H3,(H,16,19)
InChIKeyRPXHCDZBLKYOGE-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.71
Rot. Bonds1

About tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate

tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate (PubChem CID 75490701) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate
PubChem CID75490701
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Nametert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C11H14F3N3O3S/c1-9(2,3)20-8(19)16-10(11(12,13)14)6(18)17-4-5-21-7(17)15-10/h4-5H2,1-3H3,(H,16,19)
InChIKeyRPXHCDZBLKYOGE-UHFFFAOYSA-N
XLogP1.71
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]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 tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
The IUPAC name of tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate (CID 75490701) is tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate is CC(C)(C)OC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O.
What is the InChIKey of tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
The InChIKey is RPXHCDZBLKYOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-9(2,3)20-8(19)16-10(11(12,13)14)6(18)17-4-5-21-7(17)15-10/h4-5H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate?
tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate has a molecular weight of 325.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamate is sourced from PubChem (CID 75490701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).