1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine

C11H22N4S — CID 65276801

IUPAC1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCCc1nsc(NC(C)CN(CC)CC)n1
InChIInChI=1S/C11H22N4S/c1-5-10-13-11(16-14-10)12-9(4)8-15(6-2)7-3/h9H,5-8H2,1-4H3,(H,12,13,14)
InChIKeyCJXVRSBPOUWTIJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.24
Rot. Bonds7

About 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine (PubChem CID 65276801) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
PubChem CID65276801
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
SMILESCCc1nsc(NC(C)CN(CC)CC)n1
InChIInChI=1S/C11H22N4S/c1-5-10-13-11(16-14-10)12-9(4)8-15(6-2)7-3/h9H,5-8H2,1-4H3,(H,12,13,14)
InChIKeyCJXVRSBPOUWTIJ-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine (CID 65276801) is 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine is CCc1nsc(NC(C)CN(CC)CC)n1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
The InChIKey is CJXVRSBPOUWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-5-10-13-11(16-14-10)12-9(4)8-15(6-2)7-3/h9H,5-8H2,1-4H3,(H,12,13,14).
What are the key properties of 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 65276801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).