2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

C17H17NO3S — CID 139686082

IUPAC2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
SMILESCOc1ccc2ccccc2c1C=C1CN(CC(=O)O)CS1
InChIInChI=1S/C17H17NO3S/c1-21-16-7-6-12-4-2-3-5-14(12)15(16)8-13-9-18(11-22-13)10-17(19)20/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyVGTDZXBXKSFPQU-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.28
Rot. Bonds4

About 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid

2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 139686082) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
PubChem CID139686082
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
SMILESCOc1ccc2ccccc2c1C=C1CN(CC(=O)O)CS1
InChIInChI=1S/C17H17NO3S/c1-21-16-7-6-12-4-2-3-5-14(12)15(16)8-13-9-18(11-22-13)10-17(19)20/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyVGTDZXBXKSFPQU-UHFFFAOYSA-N
XLogP3.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 139686110
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
methyl 2-[(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 124643051
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
(Z)-3-(2-methoxynaphthalen-1-yl)-2-thiophen-2-ylprop-2-enoic acid
CID 22684789
(E)-3-(2-methoxynaphthalen-1-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 82185585
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
5-[(2-methoxynaphthalen-1-yl)methylidene]-1-methylimidazolidine-2,4-dione
CID 139888147

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid (CID 139686082) is 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid is COc1ccc2ccccc2c1C=C1CN(CC(=O)O)CS1.
What is the InChIKey of 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is VGTDZXBXKSFPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-21-16-7-6-12-4-2-3-5-14(12)15(16)8-13-9-18(11-22-13)10-17(19)20/h2-8H,9-11H2,1H3,(H,19,20).
What are the key properties of 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid?
2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 315.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 139686082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).