(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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Related Compounds

[3-[(3-hydroxyphenyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 14306196
methyl 2,4-dichloro-3-[(2-cyanoimino-1,3-thiazolidin-3-yl)methyl]benzoate
CID 15545017
3-benzyl-1,3-thiazolidin-2-imine
CID 15163853
2-[(E)-(3-benzyl-1,3-thiazolidin-2-ylidene)-cyanomethyl]benzonitrile
CID 10805459
methyl (2Z)-2-(3-benzyl-1,3-thiazolidin-2-ylidene)-2-cyanoacetate
CID 15317204
[5,6-dichloro-1-[(2-cyanoimino-1,3-thiazolidin-3-yl)methyl]cyclohexa-2,4-dien-1-yl] benzoate
CID 139836723
[3-(5-phenylfuran-2-carbonyl)-1,3-thiazolidin-2-ylidene]cyanamide
CID 162677218
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 90028683
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 87900300
1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 88537260
3-benzyl-N-(4-propylphenyl)-1,3-thiazolidin-2-imine;2-methyl-1,3-benzothiazole
CID 143137231
(Z)-3-[(6-chloro-3-pyridinyl)methyl]-N-isocyano-1,3-thiazolidin-2-imine;methane
CID 172923550

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).