2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C13H14N2O6S2 — CID 87546100

IUPAC2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C13H14N2O6S2/c1-20-9-3-4-10(21-2)11(6-9)23(18,19)15-13-14-8(7-22-13)5-12(16)17/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyORQZOPXTYLELCY-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.59
Rot. Bonds7

About 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87546100) has the molecular formula C13H14N2O6S2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87546100
Molecular FormulaC13H14N2O6S2
Molecular Weight358.40 g/mol
Exact Mass358.03
IUPAC Name2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C13H14N2O6S2/c1-20-9-3-4-10(21-2)11(6-9)23(18,19)15-13-14-8(7-22-13)5-12(16)17/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyORQZOPXTYLELCY-UHFFFAOYSA-N
XLogP1.59
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
CID 108780350
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 87546100) is 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is COc1ccc(OC)c(S(=O)(=O)Nc2nc(CC(=O)O)cs2)c1.
What is the InChIKey of 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ORQZOPXTYLELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6S2/c1-20-9-3-4-10(21-2)11(6-9)23(18,19)15-13-14-8(7-22-13)5-12(16)17/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 358.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).