2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid

C15H11NO2S — CID 5228414

IUPAC2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C15H11NO2S/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)
InChIKeyAVNHUGJNGGIJIL-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.59
Rot. Bonds3

About 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid (PubChem CID 5228414) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
PubChem CID5228414
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C15H11NO2S/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)
InChIKeyAVNHUGJNGGIJIL-UHFFFAOYSA-N
XLogP3.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid (CID 5228414) is 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid is O=C(O)Cc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is AVNHUGJNGGIJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/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).
What are the key properties of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid?
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 269.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 5228414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).