(3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate

C7H11N3O2S — CID 175421177

IUPAC(3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate
SMILESCC(C)(C)c1nsc(OC(N)=O)n1
InChIInChI=1S/C7H11N3O2S/c1-7(2,3)4-9-6(13-10-4)12-5(8)11/h1-3H3,(H2,8,11)
InChIKeyQCBYPDLOMZIMNS-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.29
Rot. Bonds1

About (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate

(3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate (PubChem CID 175421177) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate.

Molecular Properties

Compound Name(3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate
PubChem CID175421177
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name(3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate
SMILESCC(C)(C)c1nsc(OC(N)=O)n1
InChIInChI=1S/C7H11N3O2S/c1-7(2,3)4-9-6(13-10-4)12-5(8)11/h1-3H3,(H2,8,11)
InChIKeyQCBYPDLOMZIMNS-UHFFFAOYSA-N
XLogP1.29
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-tert-butyl-1,2,4-thiadiazol-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

CID 90943236
CID 90943236
CID 139570285
CID 139570285
CID 153949965
CID 153949965
CID 79427145
CID 79427145
CID 131065153
CID 131065153

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate?
The IUPAC name of (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate (CID 175421177) is (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate.
What is the SMILES notation for (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate?
The canonical SMILES for (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate is CC(C)(C)c1nsc(OC(N)=O)n1.
What is the InChIKey of (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate?
The InChIKey is QCBYPDLOMZIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-7(2,3)4-9-6(13-10-4)12-5(8)11/h1-3H3,(H2,8,11).
What are the key properties of (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate?
(3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate has a molecular weight of 201.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2,4-thiadiazol-5-yl) carbamate is sourced from PubChem (CID 175421177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).