5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine

C7H14N4OS — CID 104766887

IUPAC5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCOC(C)(C)CNc1nc(N)ns1
InChIInChI=1S/C7H14N4OS/c1-7(2,12-3)4-9-6-10-5(8)11-13-6/h4H2,1-3H3,(H3,8,9,10,11)
InChIKeyBHWAZHKCRFKUIS-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.96
Rot. Bonds4

About 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 104766887) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID104766887
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCOC(C)(C)CNc1nc(N)ns1
InChIInChI=1S/C7H14N4OS/c1-7(2,12-3)4-9-6-10-5(8)11-13-6/h4H2,1-3H3,(H3,8,9,10,11)
InChIKeyBHWAZHKCRFKUIS-UHFFFAOYSA-N
XLogP0.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine (CID 104766887) is 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine is COC(C)(C)CNc1nc(N)ns1.
What is the InChIKey of 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is BHWAZHKCRFKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-7(2,12-3)4-9-6-10-5(8)11-13-6/h4H2,1-3H3,(H3,8,9,10,11).
What are the key properties of 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 202.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 104766887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).