5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid

C12H12N2O5S2 — CID 86567026

IUPAC5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1CS(=O)(=O)Nc1scnc1C(=O)O
InChIInChI=1S/C12H12N2O5S2/c1-19-9-5-3-2-4-8(9)6-21(17,18)14-11-10(12(15)16)13-7-20-11/h2-5,7,14H,6H2,1H3,(H,15,16)
InChIKeyWEYJEUIKVYKNAZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.79
Rot. Bonds6

About 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567026) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567026
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1CS(=O)(=O)Nc1scnc1C(=O)O
InChIInChI=1S/C12H12N2O5S2/c1-19-9-5-3-2-4-8(9)6-21(17,18)14-11-10(12(15)16)13-7-20-11/h2-5,7,14H,6H2,1H3,(H,15,16)
InChIKeyWEYJEUIKVYKNAZ-UHFFFAOYSA-N
XLogP1.79
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567094
5-[(2-nitrophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567421
(2-methoxyphenyl)methylsulfonylcarbamic acid
CID 141426793
5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567825
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754
5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86566877
5-(2-methoxy-N-sulfinoanilino)-1,3-thiazole-4-carboxylic acid
CID 175456506
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
4-carboxy-5-(2-methoxy-N-sulfinatoanilino)-1,3-thiazole
CID 175456505
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 22300640
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid
CID 86566876

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567026) is 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid is COc1ccccc1CS(=O)(=O)Nc1scnc1C(=O)O.
What is the InChIKey of 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WEYJEUIKVYKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-19-9-5-3-2-4-8(9)6-21(17,18)14-11-10(12(15)16)13-7-20-11/h2-5,7,14H,6H2,1H3,(H,15,16).
What are the key properties of 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).