(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C19H18ClN3O2S — CID 137034735

IUPAC(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)o2)S1
InChIInChI=1S/C19H18ClN3O2S/c1-12-4-5-13(20)10-15(12)21-19-22-18(24)16(26-19)11-14-6-7-17(25-14)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,24)/b16-11-
InChIKeyVJHFQPOUVWXDSN-WJDWOHSUSA-N
MW387.89 g/mol
LogP4.73
Rot. Bonds3

About (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137034735) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137034735
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)o2)S1
InChIInChI=1S/C19H18ClN3O2S/c1-12-4-5-13(20)10-15(12)21-19-22-18(24)16(26-19)11-14-6-7-17(25-14)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,24)/b16-11-
InChIKeyVJHFQPOUVWXDSN-WJDWOHSUSA-N
XLogP4.73
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenyl)imino-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135510489
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135494776
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118212
(5Z)-2-(2-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137023043
2-[5-[(Z)-[2-(5-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137118209
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137118146
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135844429
(5E)-2-(4-methylphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137050469
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135563139
(5Z)-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2-(5-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137118980
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089507
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137173634

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 137034735) is (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)o2)S1.
What is the InChIKey of (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VJHFQPOUVWXDSN-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-12-4-5-13(20)10-15(12)21-19-22-18(24)16(26-19)11-14-6-7-17(25-14)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,24)/b16-11-.
What are the key properties of (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 387.89 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(5-chloro-2-methylphenyl)imino-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137034735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).