(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C20H13N5O3S — CID 135585542

IUPAC(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2\S/C(=N\c3nnc(-c4ccccc4)o3)NC2=O)c2ccccc21
InChIInChI=1S/C20H13N5O3S/c1-25-13-10-6-5-9-12(13)14(18(25)27)15-16(26)21-20(29-15)22-19-24-23-17(28-19)11-7-3-2-4-8-11/h2-10H,1H3,(H,21,22,24,26)/b15-14-
InChIKeySRZRFTUDMHONEM-PFONDFGASA-N
MW403.42 g/mol
LogP2.97
Rot. Bonds2

About (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 135585542) has the molecular formula C20H13N5O3S and a molecular weight of 403.42 g/mol. Its IUPAC name is (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID135585542
Molecular FormulaC20H13N5O3S
Molecular Weight403.42 g/mol
Exact Mass403.07
IUPAC Name(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2\S/C(=N\c3nnc(-c4ccccc4)o3)NC2=O)c2ccccc21
InChIInChI=1S/C20H13N5O3S/c1-25-13-10-6-5-9-12(13)14(18(25)27)15-16(26)21-20(29-15)22-19-24-23-17(28-19)11-7-3-2-4-8-11/h2-10H,1H3,(H,21,22,24,26)/b15-14-
InChIKeySRZRFTUDMHONEM-PFONDFGASA-N
XLogP2.97
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.97
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 (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (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) is (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one is CN1C(=O)/C(=C2\S/C(=N\c3nnc(-c4ccccc4)o3)NC2=O)c2ccccc21.
What is the InChIKey of (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is SRZRFTUDMHONEM-PFONDFGASA-N. The full InChI is InChI=1S/C20H13N5O3S/c1-25-13-10-6-5-9-12(13)14(18(25)27)15-16(26)21-20(29-15)22-19-24-23-17(28-19)11-7-3-2-4-8-11/h2-10H,1H3,(H,21,22,24,26)/b15-14-.
What are the key properties of (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 403.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135585542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).