4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide

C6H8N2OS2 — CID 123727875

IUPAC4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide
SMILESO=S1CNC(c2nccs2)C1
InChIInChI=1S/C6H8N2OS2/c9-11-3-5(8-4-11)6-7-1-2-10-6/h1-2,5,8H,3-4H2
InChIKeyMUCMWPRPYURUKE-UHFFFAOYSA-N
MW188.28 g/mol
LogP0.49
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide

4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide (PubChem CID 123727875) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide
PubChem CID123727875
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC Name4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide
SMILESO=S1CNC(c2nccs2)C1
InChIInChI=1S/C6H8N2OS2/c9-11-3-5(8-4-11)6-7-1-2-10-6/h1-2,5,8H,3-4H2
InChIKeyMUCMWPRPYURUKE-UHFFFAOYSA-N
XLogP0.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 170164499
2-ethylimino-5-(1,3-thiazol-2-yl)imidazolidin-4-one
CID 136706810
(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one
CID 71354365
8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
CID 150389360
methyl (2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate;hydrochloride
CID 169198353
2-(2-methylpropylimino)-5-(1,3-thiazol-2-yl)imidazolidin-4-one
CID 136706814
2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771
(5S)-2-(2-ethoxyethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane 1,1-dioxide
CID 146619371
2-(5,5-difluoropiperidin-3-yl)-1,3-thiazole
CID 105456190
4,4-dimethyl-6-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320148
4-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 145143053

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide (CID 123727875) is 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide is O=S1CNC(c2nccs2)C1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide?
The InChIKey is MUCMWPRPYURUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c9-11-3-5(8-4-11)6-7-1-2-10-6/h1-2,5,8H,3-4H2.
What are the key properties of 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide?
4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide has a molecular weight of 188.28 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 123727875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).