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

C6H9N3S — CID 10888137

IUPAC(3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESCCN1CCS/C1=N\C#N
InChIInChI=1S/C6H9N3S/c1-2-9-3-4-10-6(9)8-5-7/h2-4H2,1H3/b8-6-
InChIKeyHBYVPSCMALYOLZ-VURMDHGXSA-N
MW155.23 g/mol
LogP0.89
Rot. Bonds1

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

(3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 10888137) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID10888137
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name(3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESCCN1CCS/C1=N\C#N
InChIInChI=1S/C6H9N3S/c1-2-9-3-4-10-6(9)8-5-7/h2-4H2,1H3/b8-6-
InChIKeyHBYVPSCMALYOLZ-VURMDHGXSA-N
XLogP0.89
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide (CID 10888137) is (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide is CCN1CCS/C1=N\C#N.
What is the InChIKey of (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is HBYVPSCMALYOLZ-VURMDHGXSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-9-3-4-10-6(9)8-5-7/h2-4H2,1H3/b8-6-.
What are the key properties of (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide?
(3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 155.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 10888137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).