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

C23H18N4O2S2 — CID 18845370

IUPAC(2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H18N4O2S2/c1-3-27-21(29)19(18-15-11-7-8-12-17(15)26(2)20(18)28)31-23(27)25-22-24-16(13-30-22)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b19-18-,25-23+
InChIKeySIPGRPSJFVCIAP-JIPMDXOYSA-N
MW446.56 g/mol
LogP4.78
Rot. Bonds3

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

(2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18845370) has the molecular formula C23H18N4O2S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID18845370
Molecular FormulaC23H18N4O2S2
Molecular Weight446.56 g/mol
Exact Mass446.09
IUPAC Name(2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H18N4O2S2/c1-3-27-21(29)19(18-15-11-7-8-12-17(15)26(2)20(18)28)31-23(27)25-22-24-16(13-30-22)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b19-18-,25-23+
InChIKeySIPGRPSJFVCIAP-JIPMDXOYSA-N
XLogP4.78
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18845370) is (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is SIPGRPSJFVCIAP-JIPMDXOYSA-N. The full InChI is InChI=1S/C23H18N4O2S2/c1-3-27-21(29)19(18-15-11-7-8-12-17(15)26(2)20(18)28)31-23(27)25-22-24-16(13-30-22)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b19-18-,25-23+.
What are the key properties of (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 446.56 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-ethyl-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).