N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C6H12N4S — CID 65272252

IUPACN',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncns1
InChIInChI=1S/C6H12N4S/c1-10(2)4-3-7-6-8-5-9-11-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyVLFMSXBIPFTVJU-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.51
Rot. Bonds4

About N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65272252) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65272252
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC NameN',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncns1
InChIInChI=1S/C6H12N4S/c1-10(2)4-3-7-6-8-5-9-11-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyVLFMSXBIPFTVJU-UHFFFAOYSA-N
XLogP0.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-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 N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65272252) is N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CN(C)CCNc1ncns1.
What is the InChIKey of N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is VLFMSXBIPFTVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-10(2)4-3-7-6-8-5-9-11-6/h5H,3-4H2,1-2H3,(H,7,8,9).
What are the key properties of N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 172.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65272252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).