N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H14N2O4S2 — CID 63311592

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C12H14N2O4S2/c1-8-11(19-12(16)14-8)20(17,18)13-6-9-3-2-4-10(5-9)7-15/h2-5,13,15H,6-7H2,1H3,(H,14,16)
InChIKeyODASVBIXHANJJS-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.72
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 63311592) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID63311592
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1cccc(CO)c1
InChIInChI=1S/C12H14N2O4S2/c1-8-11(19-12(16)14-8)20(17,18)13-6-9-3-2-4-10(5-9)7-15/h2-5,13,15H,6-7H2,1H3,(H,14,16)
InChIKeyODASVBIXHANJJS-UHFFFAOYSA-N
XLogP0.72
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 63311592) is N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is ODASVBIXHANJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c1-8-11(19-12(16)14-8)20(17,18)13-6-9-3-2-4-10(5-9)7-15/h2-5,13,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 314.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63311592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).