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

C11H20N4S — CID 115310862

IUPAC2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H20N4S/c1-7(2)11(3,6-12)14-10-13-9(15-16-10)8-4-5-8/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyGMUZUNXVKHYWIE-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.20
Rot. Bonds5

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

2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine (PubChem CID 115310862) 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)-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
PubChem CID115310862
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nc(C2CC2)ns1
InChIInChI=1S/C11H20N4S/c1-7(2)11(3,6-12)14-10-13-9(15-16-10)8-4-5-8/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyGMUZUNXVKHYWIE-UHFFFAOYSA-N
XLogP2.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.20
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)-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine (CID 115310862) is 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1nc(C2CC2)ns1.
What is the InChIKey of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine?
The InChIKey is GMUZUNXVKHYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-7(2)11(3,6-12)14-10-13-9(15-16-10)8-4-5-8/h7-8H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine?
2-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2,3-dimethylbutane-1,2-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.20, 5 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)-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115310862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).