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

C7H14N4S — CID 65267794

IUPACN,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1nc(C)ns1
InChIInChI=1S/C7H14N4S/c1-6-9-7(12-10-6)11(3)5-4-8-2/h8H,4-5H2,1-3H3
InChIKeyBFRDKEPBOSTFKW-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.50
Rot. Bonds4

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

N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65267794) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65267794
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1nc(C)ns1
InChIInChI=1S/C7H14N4S/c1-6-9-7(12-10-6)11(3)5-4-8-2/h8H,4-5H2,1-3H3
InChIKeyBFRDKEPBOSTFKW-UHFFFAOYSA-N
XLogP0.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 332609
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
CID 54595871
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959831
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304576
N,N'-dimethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304581
N'-ethyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304585
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304648
N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304652
N'-ethyl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 107304921

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65267794) is N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CNCCN(C)c1nc(C)ns1.
What is the InChIKey of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is BFRDKEPBOSTFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6-9-7(12-10-6)11(3)5-4-8-2/h8H,4-5H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.50, 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'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65267794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).