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

C8H14N4S — CID 65270493

IUPACN'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCCCN(c1ncns1)C1CC1
InChIInChI=1S/C8H14N4S/c9-4-1-5-12(7-2-3-7)8-10-6-11-13-8/h6-7H,1-5,9H2
InChIKeyAVZGUHCXYYTWMA-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.86
Rot. Bonds5

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

N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270493) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270493
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCCCN(c1ncns1)C1CC1
InChIInChI=1S/C8H14N4S/c9-4-1-5-12(7-2-3-7)8-10-6-11-13-8/h6-7H,1-5,9H2
InChIKeyAVZGUHCXYYTWMA-UHFFFAOYSA-N
XLogP0.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270493) is N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is NCCCN(c1ncns1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is AVZGUHCXYYTWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c9-4-1-5-12(7-2-3-7)8-10-6-11-13-8/h6-7H,1-5,9H2.
What are the key properties of N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 198.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).