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

C9H18N4S — CID 66278136

IUPAC5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1nc(N)ns1
InChIInChI=1S/C9H18N4S/c1-4-6(2)5-7(3)11-9-12-8(10)13-14-9/h6-7H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyZBZSCOLVKZQIDI-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.36
Rot. Bonds5

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

5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278136) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278136
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(C)CC(C)Nc1nc(N)ns1
InChIInChI=1S/C9H18N4S/c1-4-6(2)5-7(3)11-9-12-8(10)13-14-9/h6-7H,4-5H2,1-3H3,(H3,10,11,12,13)
InChIKeyZBZSCOLVKZQIDI-UHFFFAOYSA-N
XLogP2.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine (CID 66278136) is 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine is CCC(C)CC(C)Nc1nc(N)ns1.
What is the InChIKey of 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is ZBZSCOLVKZQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-6(2)5-7(3)11-9-12-8(10)13-14-9/h6-7H,4-5H2,1-3H3,(H3,10,11,12,13).
What are the key properties of 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylhexan-2-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).