4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde

C18H15NO2S — CID 5236069

IUPAC4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1cc(OCc2ccccc2)ccc1-c1csc(C=O)n1
InChIInChI=1S/C18H15NO2S/c1-13-9-15(21-11-14-5-3-2-4-6-14)7-8-16(13)17-12-22-18(10-20)19-17/h2-10,12H,11H2,1H3
InChIKeyQRMSEQAREXBXAN-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.51
Rot. Bonds5

About 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde

4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 5236069) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID5236069
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCc1cc(OCc2ccccc2)ccc1-c1csc(C=O)n1
InChIInChI=1S/C18H15NO2S/c1-13-9-15(21-11-14-5-3-2-4-6-14)7-8-16(13)17-12-22-18(10-20)19-17/h2-10,12H,11H2,1H3
InChIKeyQRMSEQAREXBXAN-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.51
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-(3-tert-butyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3700203
4-(2,4,5-trimethylphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744709
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-[1H-benzimidazol-2-ylmethyl-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]-2-methylphenyl]-1,3-thiazol-2-yl]methyl]amino]acetic acid
CID 23080422
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde (CID 5236069) is 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde is Cc1cc(OCc2ccccc2)ccc1-c1csc(C=O)n1.
What is the InChIKey of 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is QRMSEQAREXBXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-13-9-15(21-11-14-5-3-2-4-6-14)7-8-16(13)17-12-22-18(10-20)19-17/h2-10,12H,11H2,1H3.
What are the key properties of 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde?
4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 309.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 5236069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).