3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

C21H22N2O3S — CID 17034536

IUPAC3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ncc(Cc2cccc(C)c2)s1
InChIInChI=1S/C21H22N2O3S/c1-15-6-5-7-16(12-15)13-17-14-22-21(27-17)23-20(24)10-11-26-19-9-4-3-8-18(19)25-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23,24)
InChIKeyNGWAUIIGAYSXIR-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.46
Rot. Bonds8

About 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide

3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 17034536) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID17034536
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ncc(Cc2cccc(C)c2)s1
InChIInChI=1S/C21H22N2O3S/c1-15-6-5-7-16(12-15)13-17-14-22-21(27-17)23-20(24)10-11-26-19-9-4-3-8-18(19)25-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23,24)
InChIKeyNGWAUIIGAYSXIR-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112767241
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
2-[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30136834
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
2-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 4758093
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 17034536) is 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is COc1ccccc1OCCC(=O)Nc1ncc(Cc2cccc(C)c2)s1.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is NGWAUIIGAYSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-6-5-7-16(12-15)13-17-14-22-21(27-17)23-20(24)10-11-26-19-9-4-3-8-18(19)25-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 17034536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).