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

C8H16N4S — CID 65272537

IUPACN',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncns1
InChIInChI=1S/C8H16N4S/c1-3-12(4-2)6-5-9-8-10-7-11-13-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeySWCJFOBELJPDFS-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.29
Rot. Bonds6

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

N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65272537) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65272537
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ncns1
InChIInChI=1S/C8H16N4S/c1-3-12(4-2)6-5-9-8-10-7-11-13-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeySWCJFOBELJPDFS-UHFFFAOYSA-N
XLogP1.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2,2-difluoroethyl)-N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107493998
N'-(1,2,4-thiadiazol-5-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494203
3-Piperazin-1-yl-1,2,4-thiadiazole
CID 18787135
1-(1,2,4-Thiadiazol-5-YL)piperazine
CID 20384287
N-ethyl-1,2,4-thiadiazol-5-amine
CID 55286483
N-propyl-1,2,4-thiadiazol-5-amine
CID 65268873
N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 65268913
3-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269225
N-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-thiadiazol-5-amine
CID 142653346
N-ethyl-1,2,4-thiadiazol-5-amine;molecular hydrogen
CID 164869847
5-N-ethyl-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
CID 167491414
ethane;N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 172263829

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65272537) is N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCN(CC)CCNc1ncns1.
What is the InChIKey of N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is SWCJFOBELJPDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-3-12(4-2)6-5-9-8-10-7-11-13-8/h7H,3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65272537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).