[1,3]thiazolo[3,2-a]indole-4-carboxylic acid

C11H7NO2S — CID 19599418

IUPAC[1,3]thiazolo[3,2-a]indole-4-carboxylic acid
SMILESO=C(O)c1c2ccccc2n2ccsc12
InChIInChI=1S/C11H7NO2S/c13-11(14)9-7-3-1-2-4-8(7)12-5-6-15-10(9)12/h1-6H,(H,13,14)
InChIKeyKBSNNUAQCDKOLL-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.85
Rot. Bonds1

About [1,3]thiazolo[3,2-a]indole-4-carboxylic acid

[1,3]thiazolo[3,2-a]indole-4-carboxylic acid (PubChem CID 19599418) has the molecular formula C11H7NO2S and a molecular weight of 217.25 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-a]indole-4-carboxylic acid.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-a]indole-4-carboxylic acid
PubChem CID19599418
Molecular FormulaC11H7NO2S
Molecular Weight217.25 g/mol
Exact Mass217.02
IUPAC Name[1,3]thiazolo[3,2-a]indole-4-carboxylic acid
SMILESO=C(O)c1c2ccccc2n2ccsc12
InChIInChI=1S/C11H7NO2S/c13-11(14)9-7-3-1-2-4-8(7)12-5-6-15-10(9)12/h1-6H,(H,13,14)
InChIKeyKBSNNUAQCDKOLL-UHFFFAOYSA-N
XLogP2.85
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-a]indole-4-carboxylic acid?
The IUPAC name of [1,3]thiazolo[3,2-a]indole-4-carboxylic acid (CID 19599418) is [1,3]thiazolo[3,2-a]indole-4-carboxylic acid.
What is the SMILES notation for [1,3]thiazolo[3,2-a]indole-4-carboxylic acid?
The canonical SMILES for [1,3]thiazolo[3,2-a]indole-4-carboxylic acid is O=C(O)c1c2ccccc2n2ccsc12.
What is the InChIKey of [1,3]thiazolo[3,2-a]indole-4-carboxylic acid?
The InChIKey is KBSNNUAQCDKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2S/c13-11(14)9-7-3-1-2-4-8(7)12-5-6-15-10(9)12/h1-6H,(H,13,14).
What are the key properties of [1,3]thiazolo[3,2-a]indole-4-carboxylic acid?
[1,3]thiazolo[3,2-a]indole-4-carboxylic acid has a molecular weight of 217.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-a]indole-4-carboxylic acid is sourced from PubChem (CID 19599418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).