(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C18H17ClN2O2S — CID 9486584

IUPAC(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccco2)S/C1=N/c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2S/c1-12(2)11-21-17(22)16(10-15-7-4-8-23-15)24-18(21)20-14-6-3-5-13(19)9-14/h3-10,12H,11H2,1-2H3/b16-10+,20-18+
InChIKeyGUJVNYPPZCAESJ-WOLOTKMDSA-N
MW360.87 g/mol
LogP5.19
Rot. Bonds4

About (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 9486584) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID9486584
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C\c2ccco2)S/C1=N/c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2S/c1-12(2)11-21-17(22)16(10-15-7-4-8-23-15)24-18(21)20-14-6-3-5-13(19)9-14/h3-10,12H,11H2,1-2H3/b16-10+,20-18+
InChIKeyGUJVNYPPZCAESJ-WOLOTKMDSA-N
XLogP5.19
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(3-chlorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486580
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 8990753
ethyl 3-[[3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4006204
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 126237131
2-(4-ethoxyphenyl)imino-3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1231908
3-[[(5E)-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126066911
propyl 3-[[(5E)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 9485486
3-[[(5E)-5-(furan-2-ylmethylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6023947
(5E)-2-(3-chlorophenyl)imino-3-ethyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 9486542
(5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126085050
(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 126097609
2-[2-[(Z)-[2-(4-chlorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 126096949

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 9486584) is (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C\c2ccco2)S/C1=N/c1cccc(Cl)c1.
What is the InChIKey of (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is GUJVNYPPZCAESJ-WOLOTKMDSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-12(2)11-21-17(22)16(10-15-7-4-8-23-15)24-18(21)20-14-6-3-5-13(19)9-14/h3-10,12H,11H2,1-2H3/b16-10+,20-18+.
What are the key properties of (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 360.87 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).