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

C11H11N3S — CID 14306192

IUPAC(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1Cc1ccccc1
InChIInChI=1S/C11H11N3S/c12-9-13-11-14(6-7-15-11)8-10-4-2-1-3-5-10/h1-5H,6-8H2/b13-11-
InChIKeyGGMDHDPZNBJHPO-QBFSEMIESA-N
MW217.30 g/mol
LogP2.07
Rot. Bonds2

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

(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 14306192) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID14306192
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1Cc1ccccc1
InChIInChI=1S/C11H11N3S/c12-9-13-11-14(6-7-15-11)8-10-4-2-1-3-5-10/h1-5H,6-8H2/b13-11-
InChIKeyGGMDHDPZNBJHPO-QBFSEMIESA-N
XLogP2.07
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.07
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-benzyl-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide (CID 14306192) is (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide is N#C/N=C1\SCCN1Cc1ccccc1.
What is the InChIKey of (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is GGMDHDPZNBJHPO-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11N3S/c12-9-13-11-14(6-7-15-11)8-10-4-2-1-3-5-10/h1-5H,6-8H2/b13-11-.
What are the key properties of (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide?
(3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 217.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 14306192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).