N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide

C19H18N2O2S — CID 9174136

IUPACN-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(COc3ccccc3)sc2C)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-19(15-8-10-16(11-9-15)20-14(2)22)21-18(24-13)12-23-17-6-4-3-5-7-17/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyASTXMWXMZMOBBF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.66
Rot. Bonds5

About N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9174136) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9174136
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(COc3ccccc3)sc2C)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-19(15-8-10-16(11-9-15)20-14(2)22)21-18(24-13)12-23-17-6-4-3-5-7-17/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyASTXMWXMZMOBBF-UHFFFAOYSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methoxy-5-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
CID 86191153
5-methyl-2-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 80503554
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
CID 86191154
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
1-(4-methylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 811272
N-[4-[2-(2-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 17426414
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
2-methylpropyl N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108747904

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 9174136) is N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(COc3ccccc3)sc2C)cc1.
What is the InChIKey of N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ASTXMWXMZMOBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-19(15-8-10-16(11-9-15)20-14(2)22)21-18(24-13)12-23-17-6-4-3-5-7-17/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9174136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).