2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate

C9H15N3O2S — CID 1479489

IUPAC2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCc1nnsc1NC(=O)OCC(C)(C)C
InChIInChI=1S/C9H15N3O2S/c1-6-7(15-12-11-6)10-8(13)14-5-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyJFNRLYRLHGMVHS-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.44
Rot. Bonds2

About 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate

2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate (PubChem CID 1479489) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate
PubChem CID1479489
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate
SMILESCc1nnsc1NC(=O)OCC(C)(C)C
InChIInChI=1S/C9H15N3O2S/c1-6-7(15-12-11-6)10-8(13)14-5-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyJFNRLYRLHGMVHS-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
The IUPAC name of 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate (CID 1479489) is 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate is Cc1nnsc1NC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
The InChIKey is JFNRLYRLHGMVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-7(15-12-11-6)10-8(13)14-5-9(2,3)4/h5H2,1-4H3,(H,10,13).
What are the key properties of 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate?
2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate has a molecular weight of 229.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-(4-methylthiadiazol-5-yl)carbamate is sourced from PubChem (CID 1479489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).