2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine

C11H20N4S — CID 80704893

IUPAC2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H20N4S/c1-2-3-4-9(7-12)13-11-14-10(15-16-11)8-5-6-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyHBTBSUDGTWETJF-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.34
Rot. Bonds7

About 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine

2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine (PubChem CID 80704893) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
PubChem CID80704893
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H20N4S/c1-2-3-4-9(7-12)13-11-14-10(15-16-11)8-5-6-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyHBTBSUDGTWETJF-UHFFFAOYSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine (CID 80704893) is 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine is CCCCC(CN)Nc1nc(C2CC2)ns1.
What is the InChIKey of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine?
The InChIKey is HBTBSUDGTWETJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-2-3-4-9(7-12)13-11-14-10(15-16-11)8-5-6-8/h8-9H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine?
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)hexane-1,2-diamine is sourced from PubChem (CID 80704893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).