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

C19H18N2O3S — CID 18836083

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C19H18N2O3S/c1-23-15-8-5-9-16(11-15)24-13-18(22)21-19-20-12-17(25-19)10-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H,20,21,22)
InChIKeyBXOOHGJISICXAE-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.76
Rot. Bonds7

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

N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 18836083) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
PubChem CID18836083
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C19H18N2O3S/c1-23-15-8-5-9-16(11-15)24-13-18(22)21-19-20-12-17(25-19)10-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H,20,21,22)
InChIKeyBXOOHGJISICXAE-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112767241
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836361
N-(5-benzyl-1,3-thiazol-2-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 16559087
2-(4-chloro-3-methylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535982
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
2-(4-phenylmethoxyphenoxy)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 18836254
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide (CID 18836083) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2ncc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is BXOOHGJISICXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-8-5-9-16(11-15)24-13-18(22)21-19-20-12-17(25-19)10-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 18836083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).