tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate

C8H13N3O4S2 — CID 42544312

IUPACtert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H13N3O4S2/c1-8(2,3)15-7(12)11-17(13,14)10-6-9-4-5-16-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyLYETXMBDTWTZAR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.32
Rot. Bonds3

About tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate

tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate (PubChem CID 42544312) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate
PubChem CID42544312
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Nametert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
InChIInChI=1S/C8H13N3O4S2/c1-8(2,3)15-7(12)11-17(13,14)10-6-9-4-5-16-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyLYETXMBDTWTZAR-UHFFFAOYSA-N
XLogP1.32
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)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-(1,3-thiazol-2-ylsulfamoyl)carbamate?
The IUPAC name of tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate (CID 42544312) is tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate is CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate?
The InChIKey is LYETXMBDTWTZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-8(2,3)15-7(12)11-17(13,14)10-6-9-4-5-16-6/h4-5H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate?
tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-thiazol-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 42544312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).