1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde

C15H14N2OS — CID 102909905

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
SMILESCc1ncsc1CCn1ccc2cccc(C=O)c21
InChIInChI=1S/C15H14N2OS/c1-11-14(19-10-16-11)6-8-17-7-5-12-3-2-4-13(9-18)15(12)17/h2-5,7,9-10H,6,8H2,1H3
InChIKeyBHQXBVOKCMXSBU-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde (PubChem CID 102909905) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
PubChem CID102909905
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
SMILESCc1ncsc1CCn1ccc2cccc(C=O)c21
InChIInChI=1S/C15H14N2OS/c1-11-14(19-10-16-11)6-8-17-7-5-12-3-2-4-13(9-18)15(12)17/h2-5,7,9-10H,6,8H2,1H3
InChIKeyBHQXBVOKCMXSBU-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.46
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 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde (CID 102909905) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde is Cc1ncsc1CCn1ccc2cccc(C=O)c21.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde?
The InChIKey is BHQXBVOKCMXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-11-14(19-10-16-11)6-8-17-7-5-12-3-2-4-13(9-18)15(12)17/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde has a molecular weight of 270.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde is sourced from PubChem (CID 102909905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).