3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine

C13H23N5S — CID 65270233

IUPAC3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
SMILESNCCCN1CCCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H23N5S/c14-5-1-6-17-7-2-8-18(10-9-17)13-15-12(16-19-13)11-3-4-11/h11H,1-10,14H2
InChIKeyKNHMGQZSTAHKCS-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.28
Rot. Bonds5

About 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine

3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine (PubChem CID 65270233) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
PubChem CID65270233
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
SMILESNCCCN1CCCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H23N5S/c14-5-1-6-17-7-2-8-18(10-9-17)13-15-12(16-19-13)11-3-4-11/h11H,1-10,14H2
InChIKeyKNHMGQZSTAHKCS-UHFFFAOYSA-N
XLogP1.28
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine 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 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine (CID 65270233) is 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine is NCCCN1CCCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
The InChIKey is KNHMGQZSTAHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c14-5-1-6-17-7-2-8-18(10-9-17)13-15-12(16-19-13)11-3-4-11/h11H,1-10,14H2.
What are the key properties of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine has a molecular weight of 281.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine is sourced from PubChem (CID 65270233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).