(5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one

C10H9NO2S3 — CID 154712614

IUPAC(5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one
SMILESO=c1[nH]c2c(s1)[C@H](c1cccs1)C[C@@H](O)S2
InChIInChI=1S/C10H9NO2S3/c12-7-4-5(6-2-1-3-14-6)8-9(15-7)11-10(13)16-8/h1-3,5,7,12H,4H2,(H,11,13)/t5-,7-/m0/s1
InChIKeyODDFDUMXGNXZIV-FSPLSTOPSA-N
MW271.39 g/mol
LogP2.44
Rot. Bonds1

About (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one

(5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one (PubChem CID 154712614) has the molecular formula C10H9NO2S3 and a molecular weight of 271.39 g/mol. Its IUPAC name is (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one.

Molecular Properties

Compound Name(5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one
PubChem CID154712614
Molecular FormulaC10H9NO2S3
Molecular Weight271.39 g/mol
Exact Mass270.98
IUPAC Name(5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one
SMILESO=c1[nH]c2c(s1)[C@H](c1cccs1)C[C@@H](O)S2
InChIInChI=1S/C10H9NO2S3/c12-7-4-5(6-2-1-3-14-6)8-9(15-7)11-10(13)16-8/h1-3,5,7,12H,4H2,(H,11,13)/t5-,7-/m0/s1
InChIKeyODDFDUMXGNXZIV-FSPLSTOPSA-N
XLogP2.44
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_E(8)', 'substructure': 'N/A'}

Analyze (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,9S,10R,11R,12R,16S)-14-(4-fluorophenyl)-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
CID 98156836
(9S)-14-(4-chlorophenyl)-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
CID 103596805
(1R,2R,9S,10S,11S,12R,16R)-14-(4-methylphenyl)-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
CID 99985320
ethyl (6R,7R)-2-oxo-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxylate
CID 39835936
(1R,8R,9R)-11-phenyl-8-thiophen-2-yl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
CID 19251646
14-(4-methoxyphenyl)-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
CID 16557937
methyl 2-[(1S,2R,9R,10S,11R,12R,16R)-6,13,15-trioxo-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]acetate
CID 51678364
methyl 2-[(1R,2R,9R,10R,11S,12S,16S)-6,13,15-trioxo-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]acetate
CID 124711125
methyl 2-[(1S,2R,9S,10S,11S,12S,16R)-6,13,15-trioxo-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]acetate
CID 98789648
6-[(1R,2R,9R,10R,11S,12S,16S)-6,13,15-trioxo-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]hexanoic acid
CID 124767107
(1R,8R,9R)-11-(4-nitrophenyl)-8-thiophen-2-yl-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
CID 19251463
ethyl 2-(6,13,15-trioxo-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl)acetate
CID 16557962

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one?
The IUPAC name of (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one (CID 154712614) is (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one.
What is the SMILES notation for (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one?
The canonical SMILES for (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one is O=c1[nH]c2c(s1)[C@H](c1cccs1)C[C@@H](O)S2.
What is the InChIKey of (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one?
The InChIKey is ODDFDUMXGNXZIV-FSPLSTOPSA-N. The full InChI is InChI=1S/C10H9NO2S3/c12-7-4-5(6-2-1-3-14-6)8-9(15-7)11-10(13)16-8/h1-3,5,7,12H,4H2,(H,11,13)/t5-,7-/m0/s1.
What are the key properties of (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one?
(5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one has a molecular weight of 271.39 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-5-hydroxy-7-thiophen-2-yl-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-2-one is sourced from PubChem (CID 154712614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).