tert-butyl thiadiazole-5-carboxylate

C7H10N2O2S — CID 65215571

IUPACtert-butyl thiadiazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cnns1
InChIInChI=1S/C7H10N2O2S/c1-7(2,3)11-6(10)5-4-8-9-12-5/h4H,1-3H3
InChIKeyIPTVZHDLXVECMX-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.49
Rot. Bonds1

About tert-butyl thiadiazole-5-carboxylate

tert-butyl thiadiazole-5-carboxylate (PubChem CID 65215571) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is tert-butyl thiadiazole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl thiadiazole-5-carboxylate
PubChem CID65215571
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nametert-butyl thiadiazole-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cnns1
InChIInChI=1S/C7H10N2O2S/c1-7(2,3)11-6(10)5-4-8-9-12-5/h4H,1-3H3
InChIKeyIPTVZHDLXVECMX-UHFFFAOYSA-N
XLogP1.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl thiadiazole-5-carboxylate 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 thiadiazole-5-carboxylate?
The IUPAC name of tert-butyl thiadiazole-5-carboxylate (CID 65215571) is tert-butyl thiadiazole-5-carboxylate.
What is the SMILES notation for tert-butyl thiadiazole-5-carboxylate?
The canonical SMILES for tert-butyl thiadiazole-5-carboxylate is CC(C)(C)OC(=O)c1cnns1.
What is the InChIKey of tert-butyl thiadiazole-5-carboxylate?
The InChIKey is IPTVZHDLXVECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-7(2,3)11-6(10)5-4-8-9-12-5/h4H,1-3H3.
What are the key properties of tert-butyl thiadiazole-5-carboxylate?
tert-butyl thiadiazole-5-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl thiadiazole-5-carboxylate is sourced from PubChem (CID 65215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).