tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate

C10H14F2N2O2S — CID 155822810

IUPACtert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C(C)(F)F)s1
InChIInChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-6-5-13-7(17-6)10(4,11)12/h5H,1-4H3,(H,14,15)
InChIKeyWGVUENDNYPEIET-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate

tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 155822810) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
PubChem CID155822810
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Nametert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C(C)(F)F)s1
InChIInChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-6-5-13-7(17-6)10(4,11)12/h5H,1-4H3,(H,14,15)
InChIKeyWGVUENDNYPEIET-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-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

Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
CID 46911876
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
CID 58874065
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
CID 91647755
tert-Butyl (2-cyclopropylthiazol-5-yl)carbamate
CID 92133067
tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
tert-butyl N-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 178936672
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
CID 63597934
tert-butyl N-[2,2-difluoro-3-(1,3-thiazol-2-ylmethylamino)propyl]carbamate
CID 104954069
tert-butyl N-[2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 104955572

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate (CID 155822810) is tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(C(C)(F)F)s1.
What is the InChIKey of tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is WGVUENDNYPEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-6-5-13-7(17-6)10(4,11)12/h5H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 264.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 155822810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).