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

C12H10ClNO3S — CID 92936551

IUPAC2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCc1cc(-c2csc(=O)n2CC(=O)O)ccc1Cl
InChIInChI=1S/C12H10ClNO3S/c1-7-4-8(2-3-9(7)13)10-6-18-12(17)14(10)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyFDENOPSNJDWNKX-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.62
Rot. Bonds3

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

2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 92936551) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID92936551
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCc1cc(-c2csc(=O)n2CC(=O)O)ccc1Cl
InChIInChI=1S/C12H10ClNO3S/c1-7-4-8(2-3-9(7)13)10-6-18-12(17)14(10)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyFDENOPSNJDWNKX-UHFFFAOYSA-N
XLogP2.62
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 92936551) is 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is Cc1cc(-c2csc(=O)n2CC(=O)O)ccc1Cl.
What is the InChIKey of 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is FDENOPSNJDWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-7-4-8(2-3-9(7)13)10-6-18-12(17)14(10)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 283.74 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 92936551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).