5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid

C7H10N2O5S2 — CID 107216109

IUPAC5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@H](O)CNS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C7H10N2O5S2/c1-4(10)2-9-16(13,14)7-5(6(11)12)8-3-15-7/h3-4,9-10H,2H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyKXXYUGWVUSMMHD-BYPYZUCNSA-N
MW266.30 g/mol
LogP-0.50
Rot. Bonds5

About 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid

5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107216109) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107216109
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
SMILESC[C@H](O)CNS(=O)(=O)c1scnc1C(=O)O
InChIInChI=1S/C7H10N2O5S2/c1-4(10)2-9-16(13,14)7-5(6(11)12)8-3-15-7/h3-4,9-10H,2H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyKXXYUGWVUSMMHD-BYPYZUCNSA-N
XLogP-0.50
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391925
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391973
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875849
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392095
5-(hex-5-ynylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 106209029
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106379571
5-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107215379
5-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 104617510
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106168048
5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391960
5-[[(1S,2S)-2-phenylcyclopropyl]methylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 146134257

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid (CID 107216109) is 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid is C[C@H](O)CNS(=O)(=O)c1scnc1C(=O)O.
What is the InChIKey of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KXXYUGWVUSMMHD-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-4(10)2-9-16(13,14)7-5(6(11)12)8-3-15-7/h3-4,9-10H,2H2,1H3,(H,11,12)/t4-/m0/s1.
What are the key properties of 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid?
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107216109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).