4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde

C12H10BrNO2S — CID 82135444

IUPAC4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1nc(C)sc1C=O
InChIInChI=1S/C12H10BrNO2S/c1-7-14-12(11(6-15)17-7)9-5-8(13)3-4-10(9)16-2/h3-6H,1-2H3
InChIKeyBXXBUSYEPNGMDM-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.70
Rot. Bonds3

About 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde

4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 82135444) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID82135444
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1nc(C)sc1C=O
InChIInChI=1S/C12H10BrNO2S/c1-7-14-12(11(6-15)17-7)9-5-8(13)3-4-10(9)16-2/h3-6H,1-2H3
InChIKeyBXXBUSYEPNGMDM-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.70
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

4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 94699090
4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
CID 82134718
4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82128691
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde
CID 82133288
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832589

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde (CID 82135444) is 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde is COc1ccc(Br)cc1-c1nc(C)sc1C=O.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is BXXBUSYEPNGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-7-14-12(11(6-15)17-7)9-5-8(13)3-4-10(9)16-2/h3-6H,1-2H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde?
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 312.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82135444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).