(3-propyl-1,3-thiazolidin-2-ylidene)cyanamide

C7H11N3S — CID 15163841

IUPAC(3-propyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESCCCN1CCS/C1=N\C#N
InChIInChI=1S/C7H11N3S/c1-2-3-10-4-5-11-7(10)9-6-8/h2-5H2,1H3/b9-7-
InChIKeyQLYUNMFKZDFZJF-CLFYSBASSA-N
MW169.25 g/mol
LogP1.28
Rot. Bonds2

About (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide

(3-propyl-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 15163841) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-propyl-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID15163841
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name(3-propyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESCCCN1CCS/C1=N\C#N
InChIInChI=1S/C7H11N3S/c1-2-3-10-4-5-11-7(10)9-6-8/h2-5H2,1H3/b9-7-
InChIKeyQLYUNMFKZDFZJF-CLFYSBASSA-N
XLogP1.28
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide 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-propyl-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide (CID 15163841) is (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide is CCCN1CCS/C1=N\C#N.
What is the InChIKey of (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is QLYUNMFKZDFZJF-CLFYSBASSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-3-10-4-5-11-7(10)9-6-8/h2-5H2,1H3/b9-7-.
What are the key properties of (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide?
(3-propyl-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 169.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 15163841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).