N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C8H16N4S — CID 65270335

IUPACN'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCCN(CCCN)c1ncns1
InChIInChI=1S/C8H16N4S/c1-2-5-12(6-3-4-9)8-10-7-11-13-8/h7H,2-6,9H2,1H3
InChIKeyCDMIMKQDJQBZAQ-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.10
Rot. Bonds6

About N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270335) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270335
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCCCN(CCCN)c1ncns1
InChIInChI=1S/C8H16N4S/c1-2-5-12(6-3-4-9)8-10-7-11-13-8/h7H,2-6,9H2,1H3
InChIKeyCDMIMKQDJQBZAQ-UHFFFAOYSA-N
XLogP1.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270335) is N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CCCN(CCCN)c1ncns1.
What is the InChIKey of N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is CDMIMKQDJQBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-2-5-12(6-3-4-9)8-10-7-11-13-8/h7H,2-6,9H2,1H3.
What are the key properties of N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).