(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid

C7H10N2O6S2 — CID 107835235

IUPAC(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H10N2O6S2/c1-3-6(16-7(13)9-3)17(14,15)8-2-4(10)5(11)12/h4,8,10H,2H2,1H3,(H,9,13)(H,11,12)/t4-/m0/s1
InChIKeyHWEICKXNYAOQHP-BYPYZUCNSA-N
MW282.30 g/mol
LogP-1.53
Rot. Bonds5

About (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid

(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid (PubChem CID 107835235) has the molecular formula C7H10N2O6S2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
PubChem CID107835235
Molecular FormulaC7H10N2O6S2
Molecular Weight282.30 g/mol
Exact Mass282.00
IUPAC Name(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H10N2O6S2/c1-3-6(16-7(13)9-3)17(14,15)8-2-4(10)5(11)12/h4,8,10H,2H2,1H3,(H,9,13)(H,11,12)/t4-/m0/s1
InChIKeyHWEICKXNYAOQHP-BYPYZUCNSA-N
XLogP-1.53
TPSA136.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 107474816
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60715984
7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
CID 61141173
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 93263803
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid (CID 107835235) is (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is HWEICKXNYAOQHP-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10N2O6S2/c1-3-6(16-7(13)9-3)17(14,15)8-2-4(10)5(11)12/h4,8,10H,2H2,1H3,(H,9,13)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid?
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of -1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 107835235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).