5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid

C12H12N2O5S2 — CID 107215379

IUPAC5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C12H12N2O5S2/c15-6-9-3-1-2-8(4-9)5-14-21(18,19)12-10(11(16)17)13-7-20-12/h1-4,7,14-15H,5-6H2,(H,16,17)
InChIKeyBVKXOROWNJKYDZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.81
Rot. Bonds6

About 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107215379) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107215379
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1S(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C12H12N2O5S2/c15-6-9-3-1-2-8(4-9)5-14-21(18,19)12-10(11(16)17)13-7-20-12/h1-4,7,14-15H,5-6H2,(H,16,17)
InChIKeyBVKXOROWNJKYDZ-UHFFFAOYSA-N
XLogP0.81
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63311592
5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 146134257
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
5-[(2-bromo-6-fluorophenyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107596866
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 107215379) is 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1S(=O)(=O)NCc1cccc(CO)c1.
What is the InChIKey of 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BVKXOROWNJKYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c15-6-9-3-1-2-8(4-9)5-14-21(18,19)12-10(11(16)17)13-7-20-12/h1-4,7,14-15H,5-6H2,(H,16,17).
What are the key properties of 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107215379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).