(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid

C7H7NO3S — CID 124674332

IUPAC(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)[C@@H]1CCOc2ncsc21
InChIInChI=1S/C7H7NO3S/c9-7(10)4-1-2-11-6-5(4)12-3-8-6/h3-4H,1-2H2,(H,9,10)/t4-/m1/s1
InChIKeyWPUSJZGBZYJFDI-SCSAIBSYSA-N
MW185.20 g/mol
LogP1.09
Rot. Bonds1

About (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid

(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid (PubChem CID 124674332) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid.

Molecular Properties

Compound Name(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid
PubChem CID124674332
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)[C@@H]1CCOc2ncsc21
InChIInChI=1S/C7H7NO3S/c9-7(10)4-1-2-11-6-5(4)12-3-8-6/h3-4H,1-2H2,(H,9,10)/t4-/m1/s1
InChIKeyWPUSJZGBZYJFDI-SCSAIBSYSA-N
XLogP1.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid?
The IUPAC name of (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid (CID 124674332) is (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid.
What is the SMILES notation for (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid?
The canonical SMILES for (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid is O=C(O)[C@@H]1CCOc2ncsc21.
What is the InChIKey of (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid?
The InChIKey is WPUSJZGBZYJFDI-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-7(10)4-1-2-11-6-5(4)12-3-8-6/h3-4H,1-2H2,(H,9,10)/t4-/m1/s1.
What are the key properties of (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid?
(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid has a molecular weight of 185.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid is sourced from PubChem (CID 124674332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).