(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid

C11H10N2O3S — CID 99989293

IUPAC(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1n2CC[S@](=O)C1
InChIInChI=1S/C11H10N2O3S/c14-11(15)7-1-2-9-8(5-7)12-10-6-17(16)4-3-13(9)10/h1-2,5H,3-4,6H2,(H,14,15)/t17-/m0/s1
InChIKeyJIRZGLGYGDSQAK-KRWDZBQOSA-N
MW250.28 g/mol
LogP1.00
Rot. Bonds1

About (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid

(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid (PubChem CID 99989293) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid
PubChem CID99989293
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1n2CC[S@](=O)C1
InChIInChI=1S/C11H10N2O3S/c14-11(15)7-1-2-9-8(5-7)12-10-6-17(16)4-3-13(9)10/h1-2,5H,3-4,6H2,(H,14,15)/t17-/m0/s1
InChIKeyJIRZGLGYGDSQAK-KRWDZBQOSA-N
XLogP1.00
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid?
The IUPAC name of (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid (CID 99989293) is (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid.
What is the SMILES notation for (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid?
The canonical SMILES for (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc1n2CC[S@](=O)C1.
What is the InChIKey of (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid?
The InChIKey is JIRZGLGYGDSQAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-11(15)7-1-2-9-8(5-7)12-10-6-17(16)4-3-13(9)10/h1-2,5H,3-4,6H2,(H,14,15)/t17-/m0/s1.
What are the key properties of (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid?
(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid is sourced from PubChem (CID 99989293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).