[3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide

C15H11F2N3OS — CID 162666740

IUPAC[3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1ccc(-c2c(F)cccc2F)o1
InChIInChI=1S/C15H11F2N3OS/c16-11-2-1-3-12(17)14(11)13-5-4-10(21-13)8-20-6-7-22-15(20)19-9-18/h1-5H,6-8H2/b19-15-
InChIKeyRWMCTCWRRXAJSI-CYVLTUHYSA-N
MW319.34 g/mol
LogP3.61
Rot. Bonds3

About [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162666740) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162666740
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name[3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1ccc(-c2c(F)cccc2F)o1
InChIInChI=1S/C15H11F2N3OS/c16-11-2-1-3-12(17)14(11)13-5-4-10(21-13)8-20-6-7-22-15(20)19-9-18/h1-5H,6-8H2/b19-15-
InChIKeyRWMCTCWRRXAJSI-CYVLTUHYSA-N
XLogP3.61
TPSA52.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.61
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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Related Compounds

CID 656370
CID 656370
[3-[[5-(4-Methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162670348
[3-[5-(4-Methoxyphenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162676508
N-benzyl-N-(furan-2-ylmethyl)-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 127037393
[3-[5-(2-Fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162642853
[3-[5-(3-Fluorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162643711
[3-[[5-(2-Chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162643796
[3-[[5-(3-Fluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162664457
[3-[[5-(4-Chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162665957
[3-[[5-(4-Fluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162667035
[3-[[5-(4-Methylphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162669043
[3-[[5-(3-Chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162669168

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 162666740) is [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1Cc1ccc(-c2c(F)cccc2F)o1.
What is the InChIKey of [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is RWMCTCWRRXAJSI-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c16-11-2-1-3-12(17)14(11)13-5-4-10(21-13)8-20-6-7-22-15(20)19-9-18/h1-5H,6-8H2/b19-15-.
What are the key properties of [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 319.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162666740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).