2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal

C15H18N2OS — CID 62277752

IUPAC2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal
SMILESCN(Cc1cscn1)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-15(11-18,13-6-4-3-5-7-13)10-17(2)8-14-9-19-12-16-14/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyUIWFTJFTYQLBBA-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal

2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal (PubChem CID 62277752) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal.

Molecular Properties

Compound Name2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal
PubChem CID62277752
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal
SMILESCN(Cc1cscn1)CC(C)(C=O)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-15(11-18,13-6-4-3-5-7-13)10-17(2)8-14-9-19-12-16-14/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyUIWFTJFTYQLBBA-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.73
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

2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanal
CID 62277730
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62256391
3,3,3-trifluoro-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]propanoic acid
CID 80996867
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765919
N'-methyl-N'-(1,3-thiazol-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110740
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900
1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62553676
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal?
The IUPAC name of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal (CID 62277752) is 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal.
What is the SMILES notation for 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal?
The canonical SMILES for 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal is CN(Cc1cscn1)CC(C)(C=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal?
The InChIKey is UIWFTJFTYQLBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(11-18,13-6-4-3-5-7-13)10-17(2)8-14-9-19-12-16-14/h3-7,9,11-12H,8,10H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal?
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal has a molecular weight of 274.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal is sourced from PubChem (CID 62277752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).