(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

C20H12ClN5O3S — CID 135487381

IUPAC(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
SMILESCN1C(=O)/C(=C2/S/C(=N/c3nnc(-c4ccc(Cl)cc4)o3)NC2=O)c2ccccc21
InChIInChI=1S/C20H12ClN5O3S/c1-26-13-5-3-2-4-12(13)14(18(26)28)15-16(27)22-20(30-15)23-19-25-24-17(29-19)10-6-8-11(21)9-7-10/h2-9H,1H3,(H,22,23,25,27)/b15-14+
InChIKeyRFYHMXZFKBLJQT-CCEZHUSRSA-N
MW437.87 g/mol
LogP3.63
Rot. Bonds2

About (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

(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 (PubChem CID 135487381) has the molecular formula C20H12ClN5O3S and a molecular weight of 437.87 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135487381
Molecular FormulaC20H12ClN5O3S
Molecular Weight437.87 g/mol
Exact Mass437.03
IUPAC Name(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
SMILESCN1C(=O)/C(=C2/S/C(=N/c3nnc(-c4ccc(Cl)cc4)o3)NC2=O)c2ccccc21
InChIInChI=1S/C20H12ClN5O3S/c1-26-13-5-3-2-4-12(13)14(18(26)28)15-16(27)22-20(30-15)23-19-25-24-17(29-19)10-6-8-11(21)9-7-10/h2-9H,1H3,(H,22,23,25,27)/b15-14+
InChIKeyRFYHMXZFKBLJQT-CCEZHUSRSA-N
XLogP3.63
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.87
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1C(=O)/C(=C2/S/C(=N/c3nnc(-c4ccc(Cl)cc4)o3)NC2=O)c2ccccc21.
What is the InChIKey of (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?
The InChIKey is RFYHMXZFKBLJQT-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H12ClN5O3S/c1-26-13-5-3-2-4-12(13)14(18(26)28)15-16(27)22-20(30-15)23-19-25-24-17(29-19)10-6-8-11(21)9-7-10/h2-9H,1H3,(H,22,23,25,27)/b15-14+.
What are the key properties of (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?
(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 has a molecular weight of 437.87 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135487381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).