N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide

C19H18N2O2S — CID 23760784

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c1-14-7-5-6-10-17(14)23-13-18(22)21-19-20-12-16(24-19)11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H,20,21,22)
InChIKeyPSVLKLZOTRFQRT-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.06
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 23760784) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
PubChem CID23760784
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c1-14-7-5-6-10-17(14)23-13-18(22)21-19-20-12-16(24-19)11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H,20,21,22)
InChIKeyPSVLKLZOTRFQRT-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112767241
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836350
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 71931194
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 18836200
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219
2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836361
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide (CID 23760784) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is PSVLKLZOTRFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-7-5-6-10-17(14)23-13-18(22)21-19-20-12-16(24-19)11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 23760784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).