(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H14ClNO3S2 — CID 147660228

IUPAC(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(=O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S
InChIInChI=1S/C18H14ClNO3S2/c1-11(21)8-9-20-17(22)16(25-18(20)24)10-14-6-7-15(23-14)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3/b16-10-
InChIKeyGLFBEZXFHYAYNC-YBEGLDIGSA-N
MW391.90 g/mol
LogP4.78
Rot. Bonds5

About (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 147660228) has the molecular formula C18H14ClNO3S2 and a molecular weight of 391.90 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID147660228
Molecular FormulaC18H14ClNO3S2
Molecular Weight391.90 g/mol
Exact Mass391.01
IUPAC Name(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(=O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S
InChIInChI=1S/C18H14ClNO3S2/c1-11(21)8-9-20-17(22)16(25-18(20)24)10-14-6-7-15(23-14)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3/b16-10-
InChIKeyGLFBEZXFHYAYNC-YBEGLDIGSA-N
XLogP4.78
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140605217
4-[5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 3750126
3-[(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 6196013
(5Z)-5-[[5-(3,4-difluorophenyl)furan-2-yl]methylidene]-3-(2-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 121430493
3-[5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 508093
3-[(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 7045598
4-chloro-N-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 126349388
6-[(5Z)-4-oxo-5-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 23474793
potassium 3-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 171145396
2-[(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 162394725
4-[5-[(Z)-[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-hydroxybenzoic acid
CID 91799340
(5E)-5-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 143248385

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 147660228) is (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CC(=O)CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S.
What is the InChIKey of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GLFBEZXFHYAYNC-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H14ClNO3S2/c1-11(21)8-9-20-17(22)16(25-18(20)24)10-14-6-7-15(23-14)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3/b16-10-.
What are the key properties of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 391.90 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(3-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 147660228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).