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

C5H4N4S — CID 11446447

IUPAC(3-cyano-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1C#N
InChIInChI=1S/C5H4N4S/c6-3-8-5-9(4-7)1-2-10-5/h1-2H2/b8-5-
InChIKeyJRBSIHLDYTYJFD-YVMONPNESA-N
MW152.18 g/mol
LogP0.35
Rot. Bonds

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

(3-cyano-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 11446447) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-cyano-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID11446447
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name(3-cyano-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1C#N
InChIInChI=1S/C5H4N4S/c6-3-8-5-9(4-7)1-2-10-5/h1-2H2/b8-5-
InChIKeyJRBSIHLDYTYJFD-YVMONPNESA-N
XLogP0.35
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide (CID 11446447) is (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide is N#C/N=C1\SCCN1C#N.
What is the InChIKey of (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is JRBSIHLDYTYJFD-YVMONPNESA-N. The full InChI is InChI=1S/C5H4N4S/c6-3-8-5-9(4-7)1-2-10-5/h1-2H2/b8-5-.
What are the key properties of (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide?
(3-cyano-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 152.18 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 11446447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).