6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde

C14H10N2O2S — CID 122447509

IUPAC6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
SMILESCOc1cncc(-c2ccc3nc(C=O)sc3c2)c1
InChIInChI=1S/C14H10N2O2S/c1-18-11-4-10(6-15-7-11)9-2-3-12-13(5-9)19-14(8-17)16-12/h2-8H,1H3
InChIKeyNSBOHWRGPGQADK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.18
Rot. Bonds3

About 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde

6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde (PubChem CID 122447509) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
PubChem CID122447509
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
SMILESCOc1cncc(-c2ccc3nc(C=O)sc3c2)c1
InChIInChI=1S/C14H10N2O2S/c1-18-11-4-10(6-15-7-11)9-2-3-12-13(5-9)19-14(8-17)16-12/h2-8H,1H3
InChIKeyNSBOHWRGPGQADK-UHFFFAOYSA-N
XLogP3.18
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
N-(4-butylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 88563814
6-nitro-1,3-benzothiazole-2-carbaldehyde
CID 20510506
tert-butyl 4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 91443709
1-[2-(5-tert-butyl-1,3,4-thiadiazol-2-yl)ethyl]-3-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 89034226
N-[6-[5-[(4-methoxyphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354315
3-(5-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 106886591
1-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]-3-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 89034231
2-[(E)-2-bromoethenyl]-6-methoxy-1,3-benzothiazole
CID 154691622
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoic acid
CID 131887333
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87479880

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde (CID 122447509) is 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde is COc1cncc(-c2ccc3nc(C=O)sc3c2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde?
The InChIKey is NSBOHWRGPGQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-18-11-4-10(6-15-7-11)9-2-3-12-13(5-9)19-14(8-17)16-12/h2-8H,1H3.
What are the key properties of 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde?
6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde has a molecular weight of 270.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde is sourced from PubChem (CID 122447509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).