2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine

C7H14N4S — CID 65277894

IUPAC2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncns1
InChIInChI=1S/C7H14N4S/c1-3-7(2,4-8)11-6-9-5-10-12-6/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyCYYPZJJELMWEPL-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.08
Rot. Bonds4

About 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine

2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine (PubChem CID 65277894) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine
PubChem CID65277894
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncns1
InChIInChI=1S/C7H14N4S/c1-3-7(2,4-8)11-6-9-5-10-12-6/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyCYYPZJJELMWEPL-UHFFFAOYSA-N
XLogP1.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine (CID 65277894) is 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine is CCC(C)(CN)Nc1ncns1.
What is the InChIKey of 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The InChIKey is CYYPZJJELMWEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-3-7(2,4-8)11-6-9-5-10-12-6/h5H,3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine has a molecular weight of 186.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(1,2,4-thiadiazol-5-yl)butane-1,2-diamine is sourced from PubChem (CID 65277894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).