N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine

C4H5N3S — CID 162461541

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine
SMILESN=C=NC1=NCCS1
InChIInChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h5H,1-2H2
InChIKeyOROUMDOHMRCAPE-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.84
Rot. Bonds

About N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine

N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine (PubChem CID 162461541) has the molecular formula C4H5N3S and a molecular weight of 127.17 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine
PubChem CID162461541
Molecular FormulaC4H5N3S
Molecular Weight127.17 g/mol
Exact Mass127.02
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine
SMILESN=C=NC1=NCCS1
InChIInChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h5H,1-2H2
InChIKeyOROUMDOHMRCAPE-UHFFFAOYSA-N
XLogP0.84
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine 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'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine (CID 162461541) is N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine is N=C=NC1=NCCS1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine?
The InChIKey is OROUMDOHMRCAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S/c5-3-7-4-6-1-2-8-4/h5H,1-2H2.
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine?
N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine has a molecular weight of 127.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine is sourced from PubChem (CID 162461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).