2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde

C16H15NOS — CID 5238228

IUPAC2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)s1
InChIInChI=1S/C16H15NOS/c1-3-11-5-7-15(19-11)16-13(9-18)12-8-10(2)4-6-14(12)17-16/h4-9,17H,3H2,1-2H3
InChIKeyGHZRSWNDXCDUHD-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.58
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde

2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde (PubChem CID 5238228) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
PubChem CID5238228
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)s1
InChIInChI=1S/C16H15NOS/c1-3-11-5-7-15(19-11)16-13(9-18)12-8-10(2)4-6-14(12)17-16/h4-9,17H,3H2,1-2H3
InChIKeyGHZRSWNDXCDUHD-UHFFFAOYSA-N
XLogP4.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde
CID 5131425
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
CID 3261971
2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
CID 87406474
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3799068
2-(2,4-dimethylphenyl)-5-ethylthiophene
CID 167264133
2-(2,4-dimethylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3655260
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde (CID 5238228) is 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde is CCc1ccc(-c2[nH]c3ccc(C)cc3c2C=O)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde?
The InChIKey is GHZRSWNDXCDUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-3-11-5-7-15(19-11)16-13(9-18)12-8-10(2)4-6-14(12)17-16/h4-9,17H,3H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde?
2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde has a molecular weight of 269.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 5238228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).