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

C7H14N4S — CID 66106156

IUPAC2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine
SMILESCC(CCN)CNc1ncns1
InChIInChI=1S/C7H14N4S/c1-6(2-3-8)4-9-7-10-5-11-12-7/h5-6H,2-4,8H2,1H3,(H,9,10,11)
InChIKeyAPIYNOKKGUNMAB-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.93
Rot. Bonds5

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

2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine (PubChem CID 66106156) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine
PubChem CID66106156
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine
SMILESCC(CCN)CNc1ncns1
InChIInChI=1S/C7H14N4S/c1-6(2-3-8)4-9-7-10-5-11-12-7/h5-6H,2-4,8H2,1H3,(H,9,10,11)
InChIKeyAPIYNOKKGUNMAB-UHFFFAOYSA-N
XLogP0.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine (CID 66106156) is 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine is CC(CCN)CNc1ncns1.
What is the InChIKey of 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
The InChIKey is APIYNOKKGUNMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6(2-3-8)4-9-7-10-5-11-12-7/h5-6H,2-4,8H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine?
2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-thiadiazol-5-yl)butane-1,4-diamine is sourced from PubChem (CID 66106156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).