4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide

C13H16N2O3S2 — CID 60715984

IUPAC4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(C)c1ccccc1
InChIInChI=1S/C13H16N2O3S2/c1-9(11-6-4-3-5-7-11)8-14-20(17,18)12-10(2)15-13(16)19-12/h3-7,9,14H,8H2,1-2H3,(H,15,16)
InChIKeySFIAYGBTNITRRU-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.83
Rot. Bonds5

About 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60715984) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60715984
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(C)c1ccccc1
InChIInChI=1S/C13H16N2O3S2/c1-9(11-6-4-3-5-7-11)8-14-20(17,18)12-10(2)15-13(16)19-12/h3-7,9,14H,8H2,1-2H3,(H,15,16)
InChIKeySFIAYGBTNITRRU-UHFFFAOYSA-N
XLogP1.83
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003
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
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712759
4-methyl-N-(2-methyl-2-phenylpropyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60987902
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
N-[(2-bromophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61402198
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide (CID 60715984) is 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(C)c1ccccc1.
What is the InChIKey of 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is SFIAYGBTNITRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9(11-6-4-3-5-7-11)8-14-20(17,18)12-10(2)15-13(16)19-12/h3-7,9,14H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60715984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).