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

C15H11NO2S — CID 4980307

IUPAC2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H11NO2S/c17-14(18)8-11-9-19-15(16-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8H2,(H,17,18)
InChIKeyLVBIDCYDHPYFJZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.59
Rot. Bonds3

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

2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 4980307) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID4980307
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H11NO2S/c17-14(18)8-11-9-19-15(16-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8H2,(H,17,18)
InChIKeyLVBIDCYDHPYFJZ-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-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid (CID 4980307) is 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1csc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is LVBIDCYDHPYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-14(18)8-11-9-19-15(16-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
2-(2-naphthalen-1-yl-1,3-thiazol-4-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-(2-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 4980307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).