2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide

C13H14N2O4S2 — CID 154805740

IUPAC2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
SMILESCc1ccc(-c2csc(=O)n2CC(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C13H14N2O4S2/c1-9-3-5-10(6-4-9)11-8-20-13(17)15(11)7-12(16)14-21(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyWSMFNSVMZIGINU-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide

2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide (PubChem CID 154805740) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
PubChem CID154805740
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
SMILESCc1ccc(-c2csc(=O)n2CC(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C13H14N2O4S2/c1-9-3-5-10(6-4-9)11-8-20-13(17)15(11)7-12(16)14-21(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyWSMFNSVMZIGINU-UHFFFAOYSA-N
XLogP0.96
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide
CID 16592486
2-[4-(4-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768197
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 166199491
2-[4-(4-cyanophenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768078
2-[4-(4-chloro-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936551
N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
CID 9164002
3-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 16596354
2-(2-oxo-4-thiophen-3-yl-1,3-thiazol-3-yl)acetic acid
CID 62090846
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 16622341
2-(4-naphthalen-2-yl-2-oxo-1,3-thiazol-3-yl)acetic acid
CID 43243749
4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
CID 17493626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide (CID 154805740) is 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide is Cc1ccc(-c2csc(=O)n2CC(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide?
The InChIKey is WSMFNSVMZIGINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9-3-5-10(6-4-9)11-8-20-13(17)15(11)7-12(16)14-21(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide?
2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide has a molecular weight of 326.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 154805740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).