N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C11H20N4S — CID 103739545

IUPACN'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCc1nsc(NCCN(CC)C2CC2)n1
InChIInChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-7-8-15(4-2)9-5-6-9/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyCHCGLHWGMFJKQY-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.00
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 103739545) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID103739545
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCc1nsc(NCCN(CC)C2CC2)n1
InChIInChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-7-8-15(4-2)9-5-6-9/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyCHCGLHWGMFJKQY-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 103739545) is N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCc1nsc(NCCN(CC)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is CHCGLHWGMFJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-7-8-15(4-2)9-5-6-9/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 103739545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).