1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde

C13H10N2OS — CID 102910657

IUPAC1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2Cc2cncs2)c1
InChIInChI=1S/C13H10N2OS/c16-8-10-1-2-13-11(5-10)3-4-15(13)7-12-6-14-9-17-12/h1-6,8-9H,7H2
InChIKeyJXEVKQNDFOTKNL-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.96
Rot. Bonds3

About 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde

1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde (PubChem CID 102910657) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde.

Molecular Properties

Compound Name1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde
PubChem CID102910657
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde
SMILESO=Cc1ccc2c(ccn2Cc2cncs2)c1
InChIInChI=1S/C13H10N2OS/c16-8-10-1-2-13-11(5-10)3-4-15(13)7-12-6-14-9-17-12/h1-6,8-9H,7H2
InChIKeyJXEVKQNDFOTKNL-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.96
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

5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
CID 115979513
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
1-[(2,6-dichlorophenyl)methyl]indole-5-carbaldehyde
CID 102910670
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole-5-carbaldehyde
CID 102910715
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
1-[(2-nitrophenyl)methyl]indole-5-carbaldehyde
CID 102910453
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
1-[(E)-3-phenylprop-2-enyl]indole-5-carbaldehyde
CID 102910664

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde?
The IUPAC name of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde (CID 102910657) is 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde.
What is the SMILES notation for 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde?
The canonical SMILES for 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde is O=Cc1ccc2c(ccn2Cc2cncs2)c1.
What is the InChIKey of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde?
The InChIKey is JXEVKQNDFOTKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-8-10-1-2-13-11(5-10)3-4-15(13)7-12-6-14-9-17-12/h1-6,8-9H,7H2.
What are the key properties of 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde?
1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde has a molecular weight of 242.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-ylmethyl)indole-5-carbaldehyde is sourced from PubChem (CID 102910657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).