3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine

C10H20N4S — CID 10489552

IUPAC3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(C)Nc1nsc(NC(C)CC)n1
InChIInChI=1S/C10H20N4S/c1-5-7(3)11-9-13-10(15-14-9)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,11,12,13,14)
InChIKeyGXXYHPXROZQOGQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.96
Rot. Bonds6

About 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine

3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 10489552) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID10489552
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(C)Nc1nsc(NC(C)CC)n1
InChIInChI=1S/C10H20N4S/c1-5-7(3)11-9-13-10(15-14-9)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,11,12,13,14)
InChIKeyGXXYHPXROZQOGQ-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine (CID 10489552) is 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine is CCC(C)Nc1nsc(NC(C)CC)n1.
What is the InChIKey of 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is GXXYHPXROZQOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-5-7(3)11-9-13-10(15-14-9)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 10489552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).