N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine

C6H12N4S — CID 70458967

IUPACN'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1cnns1
InChIInChI=1S/C6H12N4S/c1-5(8-3-2-7)6-4-9-10-11-6/h4-5,8H,2-3,7H2,1H3
InChIKeyROTXYWZRHUYEIV-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.15
Rot. Bonds4

About N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine

N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 70458967) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine
PubChem CID70458967
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC NameN'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)c1cnns1
InChIInChI=1S/C6H12N4S/c1-5(8-3-2-7)6-4-9-10-11-6/h4-5,8H,2-3,7H2,1H3
InChIKeyROTXYWZRHUYEIV-UHFFFAOYSA-N
XLogP0.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine (CID 70458967) is N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine is CC(NCCN)c1cnns1.
What is the InChIKey of N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is ROTXYWZRHUYEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-5(8-3-2-7)6-4-9-10-11-6/h4-5,8H,2-3,7H2,1H3.
What are the key properties of N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine?
N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 172.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70458967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).