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

C15H14N2OS — CID 102910167

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
SMILESCCc1nc(Cn2ccc3cccc(C=O)c32)cs1
InChIInChI=1S/C15H14N2OS/c1-2-14-16-13(10-19-14)8-17-7-6-11-4-3-5-12(9-18)15(11)17/h3-7,9-10H,2,8H2,1H3
InChIKeyDRMOXAZAHINSLV-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.52
Rot. Bonds4

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

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde (PubChem CID 102910167) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
PubChem CID102910167
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
SMILESCCc1nc(Cn2ccc3cccc(C=O)c32)cs1
InChIInChI=1S/C15H14N2OS/c1-2-14-16-13(10-19-14)8-17-7-6-11-4-3-5-12(9-18)15(11)17/h3-7,9-10H,2,8H2,1H3
InChIKeyDRMOXAZAHINSLV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[(7-nitroindol-1-yl)methyl]-1,3-thiazole
CID 75469975
1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
CID 102910068
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
CID 102913727
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrole-3-carbaldehyde
CID 66410097
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664492
1-(2-ethylbutyl)indole-7-carbaldehyde
CID 102910011
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
2-ethyl-4-[(4-fluoroindol-1-yl)methyl]-1,3-thiazole
CID 82793448
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
CID 102909905
1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-7-carbaldehyde
CID 102910161
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
6-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,6-naphthyridin-5-one
CID 72920970

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde (CID 102910167) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde is CCc1nc(Cn2ccc3cccc(C=O)c32)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde?
The InChIKey is DRMOXAZAHINSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-14-16-13(10-19-14)8-17-7-6-11-4-3-5-12(9-18)15(11)17/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde has a molecular weight of 270.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde is sourced from PubChem (CID 102910167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).