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

C5H5N5S — CID 86185534

IUPAC1-cyano-2-(1,3-thiazol-2-yl)guanidine
SMILESN#CNC(N)=Nc1nccs1
InChIInChI=1S/C5H5N5S/c6-3-9-4(7)10-5-8-1-2-11-5/h1-2H,(H3,7,8,9,10)
InChIKeyRKFWWDIRKLHRLF-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.16
Rot. Bonds1

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

1-cyano-2-(1,3-thiazol-2-yl)guanidine (PubChem CID 86185534) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 1-cyano-2-(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(1,3-thiazol-2-yl)guanidine
PubChem CID86185534
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name1-cyano-2-(1,3-thiazol-2-yl)guanidine
SMILESN#CNC(N)=Nc1nccs1
InChIInChI=1S/C5H5N5S/c6-3-9-4(7)10-5-8-1-2-11-5/h1-2H,(H3,7,8,9,10)
InChIKeyRKFWWDIRKLHRLF-UHFFFAOYSA-N
XLogP0.16
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(1,3-thiazol-2-yl)guanidine?
The IUPAC name of 1-cyano-2-(1,3-thiazol-2-yl)guanidine (CID 86185534) is 1-cyano-2-(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 1-cyano-2-(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 1-cyano-2-(1,3-thiazol-2-yl)guanidine is N#CNC(N)=Nc1nccs1.
What is the InChIKey of 1-cyano-2-(1,3-thiazol-2-yl)guanidine?
The InChIKey is RKFWWDIRKLHRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c6-3-9-4(7)10-5-8-1-2-11-5/h1-2H,(H3,7,8,9,10).
What are the key properties of 1-cyano-2-(1,3-thiazol-2-yl)guanidine?
1-cyano-2-(1,3-thiazol-2-yl)guanidine has a molecular weight of 167.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 86185534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).