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

C10H16N2O3S3 — CID 80613260

IUPAC4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C10H16N2O3S3/c1-7-9(17-10(13)12-7)18(14,15)11-6-8-4-2-3-5-16-8/h8,11H,2-6H2,1H3,(H,12,13)
InChIKeyCRVOOXBRHIXFMD-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.31
Rot. Bonds4

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

4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 80613260) has the molecular formula C10H16N2O3S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID80613260
Molecular FormulaC10H16N2O3S3
Molecular Weight308.45 g/mol
Exact Mass308.03
IUPAC Name4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C10H16N2O3S3/c1-7-9(17-10(13)12-7)18(14,15)11-6-8-4-2-3-5-16-8/h8,11H,2-6H2,1H3,(H,12,13)
InChIKeyCRVOOXBRHIXFMD-UHFFFAOYSA-N
XLogP1.31
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(4-methylcyclohexyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63244688
4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106024978
4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61013272
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
N-[(1-hydroxycyclopentyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65108721
4-methyl-N-[(1-methylcyclopentyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63831628
N-cyclopropyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723887
2-methyl-N-(thian-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 80613171
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide (CID 80613260) is 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is CRVOOXBRHIXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S3/c1-7-9(17-10(13)12-7)18(14,15)11-6-8-4-2-3-5-16-8/h8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(thian-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 80613260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).