4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole

C6H8N2O3S2 — CID 122332211

IUPAC4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)N1CCSC1
InChIInChI=1S/C6H8N2O3S2/c9-13(10,6-3-7-11-4-6)8-1-2-12-5-8/h3-4H,1-2,5H2
InChIKeyKAXMLDXZGWVVIH-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.37
Rot. Bonds2

About 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole

4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole (PubChem CID 122332211) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole
PubChem CID122332211
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC Name4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)N1CCSC1
InChIInChI=1S/C6H8N2O3S2/c9-13(10,6-3-7-11-4-6)8-1-2-12-5-8/h3-4H,1-2,5H2
InChIKeyKAXMLDXZGWVVIH-UHFFFAOYSA-N
XLogP0.37
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]sulfonyl]-1,2-oxazole
CID 90630510
4-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122339651
3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 852139
4-(2-chloropyrimidin-5-yl)sulfonylthiomorpholine
CID 43456484
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonyl-1,2-oxazole
CID 126892300
2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336845
N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346293
2-[2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915325
4-(3-pyrimidin-2-yloxypiperidin-1-yl)sulfonyl-1,2-oxazole
CID 122257661
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122338151
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3-thiazolidine
CID 122332190
4-(1,3-thiazolidin-3-ylsulfonyl)-2-(trifluoromethyl)benzonitrile
CID 71975014

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole?
The IUPAC name of 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole (CID 122332211) is 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole.
What is the SMILES notation for 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole?
The canonical SMILES for 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole is O=S(=O)(c1cnoc1)N1CCSC1.
What is the InChIKey of 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole?
The InChIKey is KAXMLDXZGWVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c9-13(10,6-3-7-11-4-6)8-1-2-12-5-8/h3-4H,1-2,5H2.
What are the key properties of 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole?
4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole has a molecular weight of 220.27 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazolidin-3-ylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 122332211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).