5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde

C11H9NOS — CID 171617944

IUPAC5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde
SMILESCc1ccc(-c2nccs2)c(C=O)c1
InChIInChI=1S/C11H9NOS/c1-8-2-3-10(9(6-8)7-13)11-12-4-5-14-11/h2-7H,1H3
InChIKeyCRUMJEFGPXETPJ-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.93
Rot. Bonds2

About 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde

5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde (PubChem CID 171617944) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde
PubChem CID171617944
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde
SMILESCc1ccc(-c2nccs2)c(C=O)c1
InChIInChI=1S/C11H9NOS/c1-8-2-3-10(9(6-8)7-13)11-12-4-5-14-11/h2-7H,1H3
InChIKeyCRUMJEFGPXETPJ-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde
CID 134279424
5-methylsulfonyl-2-(1,3-thiazol-2-yl)benzaldehyde
CID 143013442
3-(1,3-thiazol-2-yl)pyridine-4-carbaldehyde
CID 96625117
4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide
CID 151398732
1-[5-methyl-2-(1,3-thiazol-2-yl)anilino]ethenol
CID 142882532
1-ethyl-3-(1,3-thiazol-2-yl)pyrazole-4-carbaldehyde
CID 63992828
2-(4-bromo-2-methylphenyl)-1,3-thiazole
CID 57201412
2-(3-fluoro-4-pyridinyl)-5-methylbenzaldehyde
CID 121367745
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
CID 169050195
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
CID 107360550

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde?
The IUPAC name of 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde (CID 171617944) is 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde?
The canonical SMILES for 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde is Cc1ccc(-c2nccs2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde?
The InChIKey is CRUMJEFGPXETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-2-3-10(9(6-8)7-13)11-12-4-5-14-11/h2-7H,1H3.
What are the key properties of 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde?
5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde is sourced from PubChem (CID 171617944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).