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

C6H12N4S — CID 65272066

IUPACN,N'-dimethyl-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ncns1
InChIInChI=1S/C6H12N4S/c1-7-3-4-10(2)6-8-5-9-11-6/h5,7H,3-4H2,1-2H3
InChIKeyXNXVKPYBMBSISU-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.19
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 65272066) 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 CID65272066
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
SMILESCNCCN(C)c1ncns1
InChIInChI=1S/C6H12N4S/c1-7-3-4-10(2)6-8-5-9-11-6/h5,7H,3-4H2,1-2H3
InChIKeyXNXVKPYBMBSISU-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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 65272066) 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 CNCCN(C)c1ncns1.
What is the InChIKey of N,N'-dimethyl-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is XNXVKPYBMBSISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-7-3-4-10(2)6-8-5-9-11-6/h5,7H,3-4H2,1-2H3.
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 0.19, 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 65272066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).