tert-butyl N-(4-methylthiadiazol-5-yl)carbamate

C8H13N3O2S — CID 70574163

IUPACtert-butyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCc1nnsc1NC(=O)OC(C)(C)C
InChIInChI=1S/C8H13N3O2S/c1-5-6(14-11-10-5)9-7(12)13-8(2,3)4/h1-4H3,(H,9,12)
InChIKeyGAEVUCDHQSJZEB-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.19
Rot. Bonds1

About tert-butyl N-(4-methylthiadiazol-5-yl)carbamate

tert-butyl N-(4-methylthiadiazol-5-yl)carbamate (PubChem CID 70574163) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is tert-butyl N-(4-methylthiadiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylthiadiazol-5-yl)carbamate
PubChem CID70574163
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nametert-butyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCc1nnsc1NC(=O)OC(C)(C)C
InChIInChI=1S/C8H13N3O2S/c1-5-6(14-11-10-5)9-7(12)13-8(2,3)4/h1-4H3,(H,9,12)
InChIKeyGAEVUCDHQSJZEB-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylthiadiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methylthiadiazol-5-yl)carbamate (CID 70574163) is tert-butyl N-(4-methylthiadiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylthiadiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylthiadiazol-5-yl)carbamate is Cc1nnsc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methylthiadiazol-5-yl)carbamate?
The InChIKey is GAEVUCDHQSJZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-6(14-11-10-5)9-7(12)13-8(2,3)4/h1-4H3,(H,9,12).
What are the key properties of tert-butyl N-(4-methylthiadiazol-5-yl)carbamate?
tert-butyl N-(4-methylthiadiazol-5-yl)carbamate has a molecular weight of 215.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylthiadiazol-5-yl)carbamate is sourced from PubChem (CID 70574163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).