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

C15H12ClN3OS — CID 162643796

IUPAC[3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H12ClN3OS/c16-13-4-2-1-3-12(13)14-6-5-11(20-14)9-19-7-8-21-15(19)18-10-17/h1-6H,7-9H2/b18-15-
InChIKeyBUXDVNVKPBEVNG-SDXDJHTJSA-N
MW317.80 g/mol
LogP3.99
Rot. Bonds3

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

[3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 162643796) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID162643796
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name[3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H12ClN3OS/c16-13-4-2-1-3-12(13)14-6-5-11(20-14)9-19-7-8-21-15(19)18-10-17/h1-6H,7-9H2/b18-15-
InChIKeyBUXDVNVKPBEVNG-SDXDJHTJSA-N
XLogP3.99
TPSA52.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.99
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

(5-(2,4-Dichlorophenyl)furan-2-yl)(pyrrolidin-1-yl)methanethione
CID 936298
[5-(2-Chlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 722579
5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 924639
[3-[5-(4-Chlorophenyl)furan-2-carbonyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162664247
[3-[[5-(4-Methoxyphenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162670348
[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-(2,6-Difluorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162666740
[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
[3-[[5-(4-Bromophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 162669369

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 162643796) is [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is BUXDVNVKPBEVNG-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-13-4-2-1-3-12(13)14-6-5-11(20-14)9-19-7-8-21-15(19)18-10-17/h1-6H,7-9H2/b18-15-.
What are the key properties of [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 317.80 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 162643796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).