3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C15H19N3O2S — CID 141421075

IUPAC3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-10-21-15(17-11)18-14(19)7-8-16-9-12-3-5-13(20-2)6-4-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyBWFMXNZPJVGFGB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.58
Rot. Bonds7

About 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 141421075) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID141421075
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-10-21-15(17-11)18-14(19)7-8-16-9-12-3-5-13(20-2)6-4-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyBWFMXNZPJVGFGB-UHFFFAOYSA-N
XLogP2.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
3-methoxy-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 17226207
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 814209
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022544
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
N-(2-bromo-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022539

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 141421075) is 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is COc1ccc(CNCCC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BWFMXNZPJVGFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-10-21-15(17-11)18-14(19)7-8-16-9-12-3-5-13(20-2)6-4-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 141421075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).