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

C11H9NOS — CID 130604806

IUPAC4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde
SMILESCc1ccc(C=O)c(-c2ccsn2)c1
InChIInChI=1S/C11H9NOS/c1-8-2-3-9(7-13)10(6-8)11-4-5-14-12-11/h2-7H,1H3
InChIKeyZJYIGQWXLOWOFO-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.93
Rot. Bonds2

About 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde

4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde (PubChem CID 130604806) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde
PubChem CID130604806
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde
SMILESCc1ccc(C=O)c(-c2ccsn2)c1
InChIInChI=1S/C11H9NOS/c1-8-2-3-9(7-13)10(6-8)11-4-5-14-12-11/h2-7H,1H3
InChIKeyZJYIGQWXLOWOFO-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-methyl-2-(1,2-thiazol-3-yl)aniline
CID 131093612
2-(3-chlorothiophen-2-yl)-4-methylbenzaldehyde
CID 107360550
2-(4-methoxy-3,5-dimethylphenyl)-4-methylbenzaldehyde
CID 83068040
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
2-iodyl-4-methylbenzaldehyde
CID 172555476
2-(2-hydroxy-6-methylphenyl)-4-methylbenzaldehyde
CID 139758030
2-(5-amino-1-methylpyrazol-4-yl)-4-methylbenzaldehyde
CID 117306888
3-formyl-2-(2-formyl-5-methylphenyl)-6-methylbenzenesulfonic acid
CID 56623796
2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
CID 107476829
CID 143927164
CID 143927164
5-methyl-2-(1,3-thiazol-2-yl)benzaldehyde
CID 171617944
2-ethyl-4-methylbenzaldehyde
CID 58929233

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde?
The IUPAC name of 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde (CID 130604806) is 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde.
What is the SMILES notation for 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde?
The canonical SMILES for 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde is Cc1ccc(C=O)c(-c2ccsn2)c1.
What is the InChIKey of 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde?
The InChIKey is ZJYIGQWXLOWOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-2-3-9(7-13)10(6-8)11-4-5-14-12-11/h2-7H,1H3.
What are the key properties of 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde?
4-methyl-2-(1,2-thiazol-3-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 4-methyl-2-(1,2-thiazol-3-yl)benzaldehyde is sourced from PubChem (CID 130604806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).