2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid

C19H13N3O3S2 — CID 141166668

IUPAC2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(/N=C2/NC(=O)C(=Cc3ccc4ccccc4c3)S2)n1
InChIInChI=1S/C19H13N3O3S2/c23-16(24)9-14-10-26-18(20-14)22-19-21-17(25)15(27-19)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-8,10H,9H2,(H,23,24)(H,20,21,22,25)
InChIKeyYSPZFKBTNOWLBC-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 141166668) has the molecular formula C19H13N3O3S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID141166668
Molecular FormulaC19H13N3O3S2
Molecular Weight395.47 g/mol
Exact Mass395.04
IUPAC Name2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(/N=C2/NC(=O)C(=Cc3ccc4ccccc4c3)S2)n1
InChIInChI=1S/C19H13N3O3S2/c23-16(24)9-14-10-26-18(20-14)22-19-21-17(25)15(27-19)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-8,10H,9H2,(H,23,24)(H,20,21,22,25)
InChIKeyYSPZFKBTNOWLBC-UHFFFAOYSA-N
XLogP3.82
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
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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Related Compounds

(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135766073
4-[(Z)-(2-naphthalen-2-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135766173
(5Z)-5-[(4-fluorophenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135602947
2-[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 135841235
ethyl 2-[2-[(Z)-[(5E)-5-[(2,4-dinitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetate
CID 135542198
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523259
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135563156
5-[(3,4-dimethoxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135486811
2-[4-[[(5E)-4-oxo-5-(quinolin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]phenyl]acetic acid
CID 135541055
3-[4-[[(5E)-5-[(6-methoxynaphthalen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]propanoic acid
CID 135541021
[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 135492730
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135486856

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid (CID 141166668) is 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(/N=C2/NC(=O)C(=Cc3ccc4ccccc4c3)S2)n1.
What is the InChIKey of 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YSPZFKBTNOWLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S2/c23-16(24)9-14-10-26-18(20-14)22-19-21-17(25)15(27-19)8-11-5-6-12-3-1-2-4-13(12)7-11/h1-8,10H,9H2,(H,23,24)(H,20,21,22,25).
What are the key properties of 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 395.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[5-(naphthalen-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 141166668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).