4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde

C13H10N2OS — CID 116867279

IUPAC4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C13H10N2OS/c1-8-13(15-12(7-16)17-8)10-6-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3
InChIKeyJUHQWAFEVKZBOR-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.41
Rot. Bonds2

About 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde

4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 116867279) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID116867279
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1sc(C=O)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C13H10N2OS/c1-8-13(15-12(7-16)17-8)10-6-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3
InChIKeyJUHQWAFEVKZBOR-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
CID 9422833
2-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962888
2-amino-7-(1H-indol-3-yl)-6-methyl-3H-pteridin-4-one
CID 135769184
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82487831
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
4-(5-bromo-2-methylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867305
2-(1H-indol-3-yl)-4-methyl-1,3-thiazole-5-thiol
CID 136988627
N-[3-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173852
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
4-(3H-benzimidazol-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867298

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde (CID 116867279) is 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde is Cc1sc(C=O)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is JUHQWAFEVKZBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-8-13(15-12(7-16)17-8)10-6-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3.
What are the key properties of 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde?
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 242.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 116867279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).