3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one

C14H10ClNO2S2 — CID 175065006

IUPAC3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccco2)SC(S)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2S2/c15-9-3-5-10(6-4-9)16-13(17)12(20-14(16)19)8-11-2-1-7-18-11/h1-8,14,19H
InChIKeyCHHAPMJVXFIKDZ-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.27
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one

3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one (PubChem CID 175065006) has the molecular formula C14H10ClNO2S2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one
PubChem CID175065006
Molecular FormulaC14H10ClNO2S2
Molecular Weight323.83 g/mol
Exact Mass322.98
IUPAC Name3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccco2)SC(S)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2S2/c15-9-3-5-10(6-4-9)16-13(17)12(20-14(16)19)8-11-2-1-7-18-11/h1-8,14,19H
InChIKeyCHHAPMJVXFIKDZ-UHFFFAOYSA-N
XLogP4.27
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one (CID 175065006) is 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one is O=C1C(=Cc2ccco2)SC(S)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one?
The InChIKey is CHHAPMJVXFIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S2/c15-9-3-5-10(6-4-9)16-13(17)12(20-14(16)19)8-11-2-1-7-18-11/h1-8,14,19H.
What are the key properties of 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one?
3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one has a molecular weight of 323.83 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 175065006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).