N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine

C12H16N4S — CID 130600119

IUPACN'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1cnns1
InChIInChI=1S/C12H16N4S/c13-6-7-16(10-12-8-14-15-17-12)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10,13H2
InChIKeyPOYPEYOLGSOQFW-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.50
Rot. Bonds6

About N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine

N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 130600119) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID130600119
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC NameN'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1cnns1
InChIInChI=1S/C12H16N4S/c13-6-7-16(10-12-8-14-15-17-12)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10,13H2
InChIKeyPOYPEYOLGSOQFW-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-benzyl-N'-(thiadiazol-5-ylmethyl)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

Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844372
N'-benzyl-N'-[(5-chloro-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 104973899
N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
CID 120844370
N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844295
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 106511670
N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104869995

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine (CID 130600119) is N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine is NCCN(Cc1ccccc1)Cc1cnns1.
What is the InChIKey of N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is POYPEYOLGSOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-6-7-16(10-12-8-14-15-17-12)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10,13H2.
What are the key properties of N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine?
N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 248.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 130600119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).