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

C11H12N2O3S2 — CID 60716003

IUPACN-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H12N2O3S2/c1-8-10(17-11(14)13-8)18(15,16)12-7-9-5-3-2-4-6-9/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyJGHKSRJBWHDOAQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.22
Rot. Bonds4

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

N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60716003) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60716003
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC NameN-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H12N2O3S2/c1-8-10(17-11(14)13-8)18(15,16)12-7-9-5-3-2-4-6-9/h2-6,12H,7H2,1H3,(H,13,14)
InChIKeyJGHKSRJBWHDOAQ-UHFFFAOYSA-N
XLogP1.22
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 81089930
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63311592
N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43593536
N-[(2-bromophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61402198
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60715984
4-methyl-N-(2-methyl-2-phenylpropyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60987902
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60724736
4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
CID 113225231
2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60716003) is N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is JGHKSRJBWHDOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-8-10(17-11(14)13-8)18(15,16)12-7-9-5-3-2-4-6-9/h2-6,12H,7H2,1H3,(H,13,14).
What are the key properties of N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60716003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).