N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine

C11H21ClN4S — CID 102995693

IUPACN'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1nsnc1Cl
InChIInChI=1S/C11H21ClN4S/c1-4-15(5-2)8-7-9-16(6-3)11-10(12)13-17-14-11/h4-9H2,1-3H3
InChIKeyBRRGVHMJGBNQTD-UHFFFAOYSA-N
MW276.84 g/mol
LogP2.75
Rot. Bonds8

About N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine

N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102995693) has the molecular formula C11H21ClN4S and a molecular weight of 276.84 g/mol. Its IUPAC name is N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102995693
Molecular FormulaC11H21ClN4S
Molecular Weight276.84 g/mol
Exact Mass276.12
IUPAC NameN'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1nsnc1Cl
InChIInChI=1S/C11H21ClN4S/c1-4-15(5-2)8-7-9-16(6-3)11-10(12)13-17-14-11/h4-9H2,1-3H3
InChIKeyBRRGVHMJGBNQTD-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.84
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine (CID 102995693) is N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)c1nsnc1Cl.
What is the InChIKey of N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is BRRGVHMJGBNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4S/c1-4-15(5-2)8-7-9-16(6-3)11-10(12)13-17-14-11/h4-9H2,1-3H3.
What are the key properties of N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine?
N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 276.84 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102995693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).