2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde

C13H12N2OS — CID 55035253

IUPAC2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde
SMILESCN1CCc2cc(-c3ncc(C=O)s3)ccc21
InChIInChI=1S/C13H12N2OS/c1-15-5-4-9-6-10(2-3-12(9)15)13-14-7-11(8-16)17-13/h2-3,6-8H,4-5H2,1H3
InChIKeyHBYDMUJHBONENR-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.61
Rot. Bonds2

About 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde

2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 55035253) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID55035253
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde
SMILESCN1CCc2cc(-c3ncc(C=O)s3)ccc21
InChIInChI=1S/C13H12N2OS/c1-15-5-4-9-6-10(2-3-12(9)15)13-14-7-11(8-16)17-13/h2-3,6-8H,4-5H2,1H3
InChIKeyHBYDMUJHBONENR-UHFFFAOYSA-N
XLogP2.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde (CID 55035253) is 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde is CN1CCc2cc(-c3ncc(C=O)s3)ccc21.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is HBYDMUJHBONENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-15-5-4-9-6-10(2-3-12(9)15)13-14-7-11(8-16)17-13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde?
2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 244.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55035253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).