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

C15H11NO3S — CID 43243749

IUPAC2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccc3ccccc3c2)csc1=O
InChIInChI=1S/C15H11NO3S/c17-14(18)8-16-13(9-20-15(16)19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H,17,18)
InChIKeyCRCLFROZNNJDPV-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.81
Rot. Bonds3

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

2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid (PubChem CID 43243749) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
PubChem CID43243749
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccc3ccccc3c2)csc1=O
InChIInChI=1S/C15H11NO3S/c17-14(18)8-16-13(9-20-15(16)19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H,17,18)
InChIKeyCRCLFROZNNJDPV-UHFFFAOYSA-N
XLogP2.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid (CID 43243749) is 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid is O=C(O)Cn1c(-c2ccc3ccccc3c2)csc1=O.
What is the InChIKey of 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The InChIKey is CRCLFROZNNJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-14(18)8-16-13(9-20-15(16)19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid?
2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid has a molecular weight of 285.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 43243749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).