sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate

C15H10NNaO2S — CID 75414423

IUPACsodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate
SMILESO=C([O-])Cc1nc(-c2cccc3ccccc23)cs1.[Na+]
InChIInChI=1S/C15H11NO2S.Na/c17-15(18)8-14-16-13(9-19-14)12-7-3-5-10-4-1-2-6-11(10)12;/h1-7,9H,8H2,(H,17,18);/q;+1/p-1
InChIKeyXMTUDYXGFRTRGZ-UHFFFAOYSA-M
MW291.31 g/mol
LogP-0.74
Rot. Bonds3

About sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate

sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate (PubChem CID 75414423) has the molecular formula C15H10NNaO2S and a molecular weight of 291.31 g/mol. Its IUPAC name is sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namesodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate
PubChem CID75414423
Molecular FormulaC15H10NNaO2S
Molecular Weight291.31 g/mol
Exact Mass291.03
IUPAC Namesodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate
SMILESO=C([O-])Cc1nc(-c2cccc3ccccc23)cs1.[Na+]
InChIInChI=1S/C15H11NO2S.Na/c17-15(18)8-14-16-13(9-19-14)12-7-3-5-10-4-1-2-6-11(10)12;/h1-7,9H,8H2,(H,17,18);/q;+1/p-1
InChIKeyXMTUDYXGFRTRGZ-UHFFFAOYSA-M
XLogP-0.74
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-3-phenylprop-2-en-1-one
CID 67031419
sodium 2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetate
CID 50987266
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
dimethyl 4-hexylthiophene-2,3-dicarboxylate;2-hexyl-4-naphthalen-1-yl-1,3-thiazole
CID 90776522
N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
CID 21240087
2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-naphthalen-1-yl-1,3-thiazole
CID 160960085
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate?
The IUPAC name of sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate (CID 75414423) is sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate is O=C([O-])Cc1nc(-c2cccc3ccccc23)cs1.[Na+].
What is the InChIKey of sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate?
The InChIKey is XMTUDYXGFRTRGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11NO2S.Na/c17-15(18)8-14-16-13(9-19-14)12-7-3-5-10-4-1-2-6-11(10)12;/h1-7,9H,8H2,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate?
sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate has a molecular weight of 291.31 g/mol, XLogP of -0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 75414423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).