(5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane

C7H13N3O2S — CID 153306307

IUPAC(5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C7H13N3O2S/c1-7(2,3)5-9-10-6(12-5)13(4,8)11/h8H,1-4H3
InChIKeyXKKWFBFEZQEAKX-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.40
Rot. Bonds1

About (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 153306307) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane
PubChem CID153306307
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name(5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C7H13N3O2S/c1-7(2,3)5-9-10-6(12-5)13(4,8)11/h8H,1-4H3
InChIKeyXKKWFBFEZQEAKX-UHFFFAOYSA-N
XLogP1.40
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane (CID 153306307) is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is XKKWFBFEZQEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-7(2,3)5-9-10-6(12-5)13(4,8)11/h8H,1-4H3.
What are the key properties of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane?
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 203.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 153306307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).