(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C21H21N3O2S — CID 18842544

IUPAC(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2cccnc2)N1C1CCCCC1
InChIInChI=1S/C21H21N3O2S/c25-18-10-8-15(9-11-18)13-19-20(26)24(17-6-2-1-3-7-17)21(27-19)23-16-5-4-12-22-14-16/h4-5,8-14,17,25H,1-3,6-7H2/b19-13-,23-21-
InChIKeyTXHAVOUQZBRUFT-QFGKFHJGSA-N
MW379.49 g/mol
LogP4.72
Rot. Bonds3

About (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842544) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842544
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2cccnc2)N1C1CCCCC1
InChIInChI=1S/C21H21N3O2S/c25-18-10-8-15(9-11-18)13-19-20(26)24(17-6-2-1-3-7-17)21(27-19)23-16-5-4-12-22-14-16/h4-5,8-14,17,25H,1-3,6-7H2/b19-13-,23-21-
InChIKeyTXHAVOUQZBRUFT-QFGKFHJGSA-N
XLogP4.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-cyclohexyl-2-pyridin-3-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842628
(5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842619
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842567
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
(5E)-3-cyclohexyl-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842576
(2E,5Z)-3-cyclohexyl-2-pyridin-2-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842525
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18844134
(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-cyclohexyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842637
4-[[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 21212556
5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5166618
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842544) is (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2cccnc2)N1C1CCCCC1.
What is the InChIKey of (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is TXHAVOUQZBRUFT-QFGKFHJGSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-18-10-8-15(9-11-18)13-19-20(26)24(17-6-2-1-3-7-17)21(27-19)23-16-5-4-12-22-14-16/h4-5,8-14,17,25H,1-3,6-7H2/b19-13-,23-21-.
What are the key properties of (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 379.49 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-5-[(4-hydroxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).