(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

C24H25N3O2S2 — CID 6148926

IUPAC(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1/C(=C2/S/C(=N\c3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21
InChIInChI=1S/C24H25N3O2S2/c1-2-26-19-10-6-7-11-20(19)30-23(26)21-22(29)27(17-8-4-3-5-9-17)24(31-21)25-16-12-14-18(28)15-13-16/h6-7,10-15,17,28H,2-5,8-9H2,1H3/b23-21-,25-24-
InChIKeyXGNWENKIWGBEDI-QDJRPKQISA-N
MW451.62 g/mol
LogP6.09
Rot. Bonds3

About (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 6148926) has the molecular formula C24H25N3O2S2 and a molecular weight of 451.62 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID6148926
Molecular FormulaC24H25N3O2S2
Molecular Weight451.62 g/mol
Exact Mass451.14
IUPAC Name(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1/C(=C2/S/C(=N\c3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21
InChIInChI=1S/C24H25N3O2S2/c1-2-26-19-10-6-7-11-20(19)30-23(26)21-22(29)27(17-8-4-3-5-9-17)24(31-21)25-16-12-14-18(28)15-13-16/h6-7,10-15,17,28H,2-5,8-9H2,1H3/b23-21-,25-24-
InChIKeyXGNWENKIWGBEDI-QDJRPKQISA-N
XLogP6.09
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
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 (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 6148926) is (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is CCN1/C(=C2/S/C(=N\c3ccc(O)cc3)N(C3CCCCC3)C2=O)Sc2ccccc21.
What is the InChIKey of (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is XGNWENKIWGBEDI-QDJRPKQISA-N. The full InChI is InChI=1S/C24H25N3O2S2/c1-2-26-19-10-6-7-11-20(19)30-23(26)21-22(29)27(17-8-4-3-5-9-17)24(31-21)25-16-12-14-18(28)15-13-16/h6-7,10-15,17,28H,2-5,8-9H2,1H3/b23-21-,25-24-.
What are the key properties of (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 451.62 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 6148926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).