N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C7H15N5S — CID 65273343

IUPACN'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(N(CCN)CCN)n1
InChIInChI=1S/C7H15N5S/c1-6-10-7(13-11-6)12(4-2-8)5-3-9/h2-5,8-9H2,1H3
InChIKeyAIXVPKSXONUVLA-UHFFFAOYSA-N
MW201.30 g/mol
LogP-0.43
Rot. Bonds5

About N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65273343) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65273343
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC NameN'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(N(CCN)CCN)n1
InChIInChI=1S/C7H15N5S/c1-6-10-7(13-11-6)12(4-2-8)5-3-9/h2-5,8-9H2,1H3
InChIKeyAIXVPKSXONUVLA-UHFFFAOYSA-N
XLogP-0.43
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(2-aminoethyl)-N'-(3-methyl-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'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65273343) is N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is Cc1nsc(N(CCN)CCN)n1.
What is the InChIKey of N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is AIXVPKSXONUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-6-10-7(13-11-6)12(4-2-8)5-3-9/h2-5,8-9H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 201.30 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65273343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).