5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde

C13H9NO2S — CID 106886546

IUPAC5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(Cc2nc3ccccc3s2)o1
InChIInChI=1S/C13H9NO2S/c15-8-10-6-5-9(16-10)7-13-14-11-3-1-2-4-12(11)17-13/h1-6,8H,7H2
InChIKeyWSVQNOOHYSTGRJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.29
Rot. Bonds3

About 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde

5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde (PubChem CID 106886546) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde
PubChem CID106886546
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(Cc2nc3ccccc3s2)o1
InChIInChI=1S/C13H9NO2S/c15-8-10-6-5-9(16-10)7-13-14-11-3-1-2-4-12(11)17-13/h1-6,8H,7H2
InChIKeyWSVQNOOHYSTGRJ-UHFFFAOYSA-N
XLogP3.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
4-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80725561
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
CID 173263701
CID 173263701
4-(1,3-benzothiazol-2-ylmethyl)-2-ethylaniline
CID 81287573
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
3-(1,3-benzothiazol-2-yl)-2,2-dimethylpropanal
CID 130698450
4-(1,3-benzothiazol-2-yl)but-2-enoic acid
CID 79819074
2-ethyl-1,3-benzothiazole
CID 123878265
6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 155811809
1-(1,3-benzothiazol-2-ylmethyl)pyrrole-3-carbaldehyde
CID 104631548
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde (CID 106886546) is 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde is O=Cc1ccc(Cc2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde?
The InChIKey is WSVQNOOHYSTGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-8-10-6-5-9(16-10)7-13-14-11-3-1-2-4-12(11)17-13/h1-6,8H,7H2.
What are the key properties of 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde?
5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylmethyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).