(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one

C13H11NO2S2 — CID 2304233

IUPAC(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11NO2S2/c15-12-11(6-7-16-12)18-13-14-10(8-17-13)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t11-/m0/s1
InChIKeyICCUGQLIUUPDSK-NSHDSACASA-N
MW277.37 g/mol
LogP3.22
Rot. Bonds3

About (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one

(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 2304233) has the molecular formula C13H11NO2S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID2304233
Molecular FormulaC13H11NO2S2
Molecular Weight277.37 g/mol
Exact Mass277.02
IUPAC Name(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11NO2S2/c15-12-11(6-7-16-12)18-13-14-10(8-17-13)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t11-/m0/s1
InChIKeyICCUGQLIUUPDSK-NSHDSACASA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyloxolan-2-one
CID 41013550
(3S)-3-(3-methylquinoxalin-2-yl)sulfanyloxolan-2-one
CID 35501475
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
(3R)-3-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 40659730
(3R)-3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]oxolan-2-one
CID 41289604
(5E)-5-benzylidene-2-(2-oxooxolan-3-yl)sulfanyl-1,3-thiazol-4-one
CID 6512605
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 112783039
3-(2,6-dichlorophenyl)sulfanyloxolan-2-one
CID 51072328
3-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]oxolan-2-one
CID 4313904
2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 9407521
(4S)-2-phenyl-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-5-propyl-4H-pyrazol-3-one
CID 7314929
2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
CID 112699838

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one (CID 2304233) is (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one is O=C1OCC[C@@H]1Sc1nc(-c2ccccc2)cs1.
What is the InChIKey of (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is ICCUGQLIUUPDSK-NSHDSACASA-N. The full InChI is InChI=1S/C13H11NO2S2/c15-12-11(6-7-16-12)18-13-14-10(8-17-13)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t11-/m0/s1.
What are the key properties of (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one?
(3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 277.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 2304233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).