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

C8H16N4S — CID 65270391

IUPACN'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCC(C)N(CCCN)c1ncns1
InChIInChI=1S/C8H16N4S/c1-7(2)12(5-3-4-9)8-10-6-11-13-8/h6-7H,3-5,9H2,1-2H3
InChIKeySFSLMBBSKZBQKP-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.10
Rot. Bonds5

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

N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270391) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270391
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCC(C)N(CCCN)c1ncns1
InChIInChI=1S/C8H16N4S/c1-7(2)12(5-3-4-9)8-10-6-11-13-8/h6-7H,3-5,9H2,1-2H3
InChIKeySFSLMBBSKZBQKP-UHFFFAOYSA-N
XLogP1.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270391) is N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CC(C)N(CCCN)c1ncns1.
What is the InChIKey of N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is SFSLMBBSKZBQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-7(2)12(5-3-4-9)8-10-6-11-13-8/h6-7H,3-5,9H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).