4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde

C15H18N2O2S — CID 107508949

IUPAC4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(C)Cc2ccc(C)cc2)sc1C=O
InChIInChI=1S/C15H18N2O2S/c1-11-4-6-12(7-5-11)8-17(2)15-16-13(10-19-3)14(9-18)20-15/h4-7,9H,8,10H2,1-3H3
InChIKeyHWQYINQANWLNJH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.05
Rot. Bonds6

About 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde

4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 107508949) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID107508949
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCOCc1nc(N(C)Cc2ccc(C)cc2)sc1C=O
InChIInChI=1S/C15H18N2O2S/c1-11-4-6-12(7-5-11)8-17(2)15-16-13(10-19-3)14(9-18)20-15/h4-7,9H,8,10H2,1-3H3
InChIKeyHWQYINQANWLNJH-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.05
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

4-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 62765736
2-(4-ethyl-N-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509033
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107508982
4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107509121
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509365
2-(N-ethyl-2-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508942
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509030
[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511017
2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508965
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509002

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 107508949) is 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is COCc1nc(N(C)Cc2ccc(C)cc2)sc1C=O.
What is the InChIKey of 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is HWQYINQANWLNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-6-12(7-5-11)8-17(2)15-16-13(10-19-3)14(9-18)20-15/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 290.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107508949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).