(3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate

C8H13N3O2S — CID 90943236

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate
SMILESCc1nsc(OC(=O)NC(C)(C)C)n1
InChIInChI=1S/C8H13N3O2S/c1-5-9-7(14-11-5)13-6(12)10-8(2,3)4/h1-4H3,(H,10,12)
InChIKeyOGGHDXXJVWRTOS-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.73
Rot. Bonds1

About (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate

(3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate (PubChem CID 90943236) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate
PubChem CID90943236
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate
SMILESCc1nsc(OC(=O)NC(C)(C)C)n1
InChIInChI=1S/C8H13N3O2S/c1-5-9-7(14-11-5)13-6(12)10-8(2,3)4/h1-4H3,(H,10,12)
InChIKeyOGGHDXXJVWRTOS-UHFFFAOYSA-N
XLogP1.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate (CID 90943236) is (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate is Cc1nsc(OC(=O)NC(C)(C)C)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate?
The InChIKey is OGGHDXXJVWRTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-9-7(14-11-5)13-6(12)10-8(2,3)4/h1-4H3,(H,10,12).
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate?
(3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate has a molecular weight of 215.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl) N-tert-butylcarbamate is sourced from PubChem (CID 90943236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).