1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine

C5H8N6S — CID 2730277

IUPAC1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine
SMILESNC(N)=NC(N)=Nc1nccs1
InChIInChI=1S/C5H8N6S/c6-3(7)10-4(8)11-5-9-1-2-12-5/h1-2H,(H6,6,7,8,9,10,11)
InChIKeyQYTORGOOJMNRFB-UHFFFAOYSA-N
MW184.23 g/mol
LogP-0.64
Rot. Bonds1

About 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine

1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine (PubChem CID 2730277) has the molecular formula C5H8N6S and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine
PubChem CID2730277
Molecular FormulaC5H8N6S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine
SMILESNC(N)=NC(N)=Nc1nccs1
InChIInChI=1S/C5H8N6S/c6-3(7)10-4(8)11-5-9-1-2-12-5/h1-2H,(H6,6,7,8,9,10,11)
InChIKeyQYTORGOOJMNRFB-UHFFFAOYSA-N
XLogP-0.64
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine 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 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine (CID 2730277) is 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine is NC(N)=NC(N)=Nc1nccs1.
What is the InChIKey of 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine?
The InChIKey is QYTORGOOJMNRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6S/c6-3(7)10-4(8)11-5-9-1-2-12-5/h1-2H,(H6,6,7,8,9,10,11).
What are the key properties of 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine?
1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine has a molecular weight of 184.23 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 2730277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).