(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one

C19H14ClN3O2S — CID 135904983

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3Cl)NC1=O)C(=O)N2C
InChIInChI=1S/C19H14ClN3O2S/c1-10-7-8-14-11(9-10)15(18(25)23(14)2)16-17(24)22-19(26-16)21-13-6-4-3-5-12(13)20/h3-9H,1-2H3,(H,21,22,24)/b16-15-
InChIKeyKJTCBFDXKPPFMO-NXVVXOECSA-N
MW383.86 g/mol
LogP3.89
Rot. Bonds1

About (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one

(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one (PubChem CID 135904983) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
PubChem CID135904983
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3Cl)NC1=O)C(=O)N2C
InChIInChI=1S/C19H14ClN3O2S/c1-10-7-8-14-11(9-10)15(18(25)23(14)2)16-17(24)22-19(26-16)21-13-6-4-3-5-12(13)20/h3-9H,1-2H3,(H,21,22,24)/b16-15-
InChIKeyKJTCBFDXKPPFMO-NXVVXOECSA-N
XLogP3.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
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

(5Z)-2-(4-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135475206
(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-(4-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135708587
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135486639
(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135404540
5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135486611
(2E,5E)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135487381
(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 135585542
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459648
2-[(3Z)-3-[2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 135404554
5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459637
(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
CID 135448763
2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135514974

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one (CID 135904983) is (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one is Cc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3Cl)NC1=O)C(=O)N2C.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is KJTCBFDXKPPFMO-NXVVXOECSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-10-7-8-14-11(9-10)15(18(25)23(14)2)16-17(24)22-19(26-16)21-13-6-4-3-5-12(13)20/h3-9H,1-2H3,(H,21,22,24)/b16-15-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 383.86 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135904983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).