tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C14H18F2N4O4S — CID 172594735

IUPACtert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C(C=O)N2CC(F)(F)CNC2=O)s1
InChIInChI=1S/C14H18F2N4O4S/c1-13(2,3)24-12(23)19-10-17-4-9(25-10)8(5-21)20-7-14(15,16)6-18-11(20)22/h4-5,8H,6-7H2,1-3H3,(H,18,22)(H,17,19,23)
InChIKeyKZDLMOBALQLSSJ-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 172594735) has the molecular formula C14H18F2N4O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID172594735
Molecular FormulaC14H18F2N4O4S
Molecular Weight376.39 g/mol
Exact Mass376.10
IUPAC Nametert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(C(C=O)N2CC(F)(F)CNC2=O)s1
InChIInChI=1S/C14H18F2N4O4S/c1-13(2,3)24-12(23)19-10-17-4-9(25-10)8(5-21)20-7-14(15,16)6-18-11(20)22/h4-5,8H,6-7H2,1-3H3,(H,18,22)(H,17,19,23)
InChIKeyKZDLMOBALQLSSJ-UHFFFAOYSA-N
XLogP2.39
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-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-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 172594735) is tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(C(C=O)N2CC(F)(F)CNC2=O)s1.
What is the InChIKey of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is KZDLMOBALQLSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O4S/c1-13(2,3)24-12(23)19-10-17-4-9(25-10)8(5-21)20-7-14(15,16)6-18-11(20)22/h4-5,8H,6-7H2,1-3H3,(H,18,22)(H,17,19,23).
What are the key properties of tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 376.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 172594735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).