N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine

C6H7N3S — CID 90378812

IUPACN-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine
SMILESC=NC1(c2nncs2)CC1
InChIInChI=1S/C6H7N3S/c1-7-6(2-3-6)5-9-8-4-10-5/h4H,1-3H2
InChIKeyYFAAWDVPKWNRDC-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.23
Rot. Bonds2

About N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine

N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine (PubChem CID 90378812) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine.

Molecular Properties

Compound NameN-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine
PubChem CID90378812
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC NameN-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine
SMILESC=NC1(c2nncs2)CC1
InChIInChI=1S/C6H7N3S/c1-7-6(2-3-6)5-9-8-4-10-5/h4H,1-3H2
InChIKeyYFAAWDVPKWNRDC-UHFFFAOYSA-N
XLogP1.23
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine 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-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine?
The IUPAC name of N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine (CID 90378812) is N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine.
What is the SMILES notation for N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine?
The canonical SMILES for N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine is C=NC1(c2nncs2)CC1.
What is the InChIKey of N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine?
The InChIKey is YFAAWDVPKWNRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-7-6(2-3-6)5-9-8-4-10-5/h4H,1-3H2.
What are the key properties of N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine?
N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine has a molecular weight of 153.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]methanimine is sourced from PubChem (CID 90378812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).