N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C10H20N4S — CID 65267444

IUPACN',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)ns1
InChIInChI=1S/C10H20N4S/c1-4-14(5-2)8-6-7-11-10-12-9(3)13-15-10/h4-8H2,1-3H3,(H,11,12,13)
InChIKeyXQRFLZNDYJTZNI-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.99
Rot. Bonds7

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

N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65267444) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65267444
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)ns1
InChIInChI=1S/C10H20N4S/c1-4-14(5-2)8-6-7-11-10-12-9(3)13-15-10/h4-8H2,1-3H3,(H,11,12,13)
InChIKeyXQRFLZNDYJTZNI-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287031
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
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
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
N'-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304454

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65267444) is N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CCN(CC)CCCNc1nc(C)ns1.
What is the InChIKey of N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is XQRFLZNDYJTZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-4-14(5-2)8-6-7-11-10-12-9(3)13-15-10/h4-8H2,1-3H3,(H,11,12,13).
What are the key properties of N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).