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

C14H13N3O2S — CID 86191154

IUPACN-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc(C)c(C#N)s2)cc1
InChIInChI=1S/C14H13N3O2S/c1-9-13(7-15)20-14(16-9)8-19-12-5-3-11(4-6-12)17-10(2)18/h3-6H,8H2,1-2H3,(H,17,18)
InChIKeyZCLRUBHXWOJIEH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.86
Rot. Bonds4

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

N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 86191154) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
PubChem CID86191154
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc(C)c(C#N)s2)cc1
InChIInChI=1S/C14H13N3O2S/c1-9-13(7-15)20-14(16-9)8-19-12-5-3-11(4-6-12)17-10(2)18/h3-6H,8H2,1-2H3,(H,17,18)
InChIKeyZCLRUBHXWOJIEH-UHFFFAOYSA-N
XLogP2.86
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82426009
N-[4-[(4-methoxy-5-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
CID 86191153
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9174136
4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82426066
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 46646474
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 43042733
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide (CID 86191154) is N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nc(C)c(C#N)s2)cc1.
What is the InChIKey of N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is ZCLRUBHXWOJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-13(7-15)20-14(16-9)8-19-12-5-3-11(4-6-12)17-10(2)18/h3-6H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide?
N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 86191154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).