(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

C27H33N3O4S — CID 126024587

IUPAC(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2\S/C(=N/c3ccccc3)N(CCCN3CCOCC3)C2=O)c1OC(C)C
InChIInChI=1S/C27H33N3O4S/c1-20(2)34-25-21(9-7-12-23(25)32-3)19-24-26(31)30(14-8-13-29-15-17-33-18-16-29)27(35-24)28-22-10-5-4-6-11-22/h4-7,9-12,19-20H,8,13-18H2,1-3H3/b24-19-,28-27+
InChIKeyGZJQZJKJEACZEZ-DLYLFGHVSA-N
MW495.65 g/mol
LogP4.81
Rot. Bonds9

About (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126024587) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID126024587
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/C=C2\S/C(=N/c3ccccc3)N(CCCN3CCOCC3)C2=O)c1OC(C)C
InChIInChI=1S/C27H33N3O4S/c1-20(2)34-25-21(9-7-12-23(25)32-3)19-24-26(31)30(14-8-13-29-15-17-33-18-16-29)27(35-24)28-22-10-5-4-6-11-22/h4-7,9-12,19-20H,8,13-18H2,1-3H3/b24-19-,28-27+
InChIKeyGZJQZJKJEACZEZ-DLYLFGHVSA-N
XLogP4.81
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2R)-2-[2-methoxy-6-[(Z)-[3-(3-morpholin-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 126255844
(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 126019945
5-[(2,3-dimethoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 3424626
(2S)-2-[2-[(Z)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]propanoic acid
CID 126248247
3-(2-methoxyethyl)-2-phenylimino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5204943
(5Z)-5-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 9485025
3-ethyl-5-[(3-methoxy-2-pentoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4258753
N-[2,5-dimethyl-3-[(Z)-[3-(3-morpholin-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzamide
CID 126218433
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxyphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 2367574
5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1229412
(5Z)-3-ethyl-5-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126243731
(5E)-5-[(4-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 24846761

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 126024587) is (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is COc1cccc(/C=C2\S/C(=N/c3ccccc3)N(CCCN3CCOCC3)C2=O)c1OC(C)C.
What is the InChIKey of (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GZJQZJKJEACZEZ-DLYLFGHVSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-20(2)34-25-21(9-7-12-23(25)32-3)19-24-26(31)30(14-8-13-29-15-17-33-18-16-29)27(35-24)28-22-10-5-4-6-11-22/h4-7,9-12,19-20H,8,13-18H2,1-3H3/b24-19-,28-27+.
What are the key properties of (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 495.65 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126024587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).