3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine

C10H20N4S — CID 65267819

IUPAC3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)c1nsc(NCC(C)C)n1
InChIInChI=1S/C10H20N4S/c1-5-14(6-2)9-12-10(15-13-9)11-7-8(3)4/h8H,5-7H2,1-4H3,(H,11,12,13)
InChIKeyRRMUZKPOQLHOGN-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.45
Rot. Bonds6

About 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine

3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 65267819) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID65267819
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)c1nsc(NCC(C)C)n1
InChIInChI=1S/C10H20N4S/c1-5-14(6-2)9-12-10(15-13-9)11-7-8(3)4/h8H,5-7H2,1-4H3,(H,11,12,13)
InChIKeyRRMUZKPOQLHOGN-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine (CID 65267819) is 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine is CCN(CC)c1nsc(NCC(C)C)n1.
What is the InChIKey of 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is RRMUZKPOQLHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-5-14(6-2)9-12-10(15-13-9)11-7-8(3)4/h8H,5-7H2,1-4H3,(H,11,12,13).
What are the key properties of 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine?
3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-5-N-(2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 65267819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).