N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C4H6N2O4S2 — CID 130964713

IUPACN-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NO
InChIInChI=1S/C4H6N2O4S2/c1-2-3(11-4(7)5-2)12(9,10)6-8/h6,8H,1H3,(H,5,7)
InChIKeyMVRXBCHODHSFNB-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.59
Rot. Bonds2

About N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 130964713) has the molecular formula C4H6N2O4S2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID130964713
Molecular FormulaC4H6N2O4S2
Molecular Weight210.24 g/mol
Exact Mass209.98
IUPAC NameN-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NO
InChIInChI=1S/C4H6N2O4S2/c1-2-3(11-4(7)5-2)12(9,10)6-8/h6,8H,1H3,(H,5,7)
InChIKeyMVRXBCHODHSFNB-UHFFFAOYSA-N
XLogP-0.59
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 16794146
N-cyclopropyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723887
N-ethoxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724929
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 107866492
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
N-(1-aminobutan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65193791
(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
CID 61141173
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
N-(1-amino-2-methylpropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63194223
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
N-[(1-hydroxycyclopentyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65108721

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 130964713) is N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NO.
What is the InChIKey of N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MVRXBCHODHSFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4S2/c1-2-3(11-4(7)5-2)12(9,10)6-8/h6,8H,1H3,(H,5,7).
What are the key properties of N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 210.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 130964713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).