2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid

C12H11NO4S — CID 16768004

IUPAC2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCOc1cccc(-c2csc(=O)n2CC(=O)O)c1
InChIInChI=1S/C12H11NO4S/c1-17-9-4-2-3-8(5-9)10-7-18-12(16)13(10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyNPJCLDQDKJBODK-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid

2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 16768004) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID16768004
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCOc1cccc(-c2csc(=O)n2CC(=O)O)c1
InChIInChI=1S/C12H11NO4S/c1-17-9-4-2-3-8(5-9)10-7-18-12(16)13(10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyNPJCLDQDKJBODK-UHFFFAOYSA-N
XLogP1.67
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936551
2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid
CID 62090846
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
2-[2-ethyl-5-(3-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898786
3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286918
2-[3-(3-methoxyphenyl)-2,5-dioxopyrrol-1-yl]acetic acid
CID 82484884
2-[5-(3-methoxyphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898919
2-(2-oxo-4-thiophen-2-yl-1,3-thiazol-3-yl)acetic acid
CID 16768259
2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid
CID 139946730
2-[4-(3-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 82225372
4-[4-(3-bromophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286966
3-ethyl-4-(3-methoxyphenyl)-1H-imidazol-2-one
CID 118668081

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 16768004) is 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is COc1cccc(-c2csc(=O)n2CC(=O)O)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is NPJCLDQDKJBODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-17-9-4-2-3-8(5-9)10-7-18-12(16)13(10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 265.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 16768004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).