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

C19H15N3O2S — CID 30859534

IUPAC2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)COc3ccccc3C#N)c2)cs1
InChIInChI=1S/C19H15N3O2S/c1-13-21-17(12-25-13)14-6-4-7-16(9-14)22-19(23)11-24-18-8-3-2-5-15(18)10-20/h2-9,12H,11H2,1H3,(H,22,23)
InChIKeyREQQNHRNGZOGCI-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.01
Rot. Bonds5

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

2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 30859534) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID30859534
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)COc3ccccc3C#N)c2)cs1
InChIInChI=1S/C19H15N3O2S/c1-13-21-17(12-25-13)14-6-4-7-16(9-14)22-19(23)11-24-18-8-3-2-5-15(18)10-20/h2-9,12H,11H2,1H3,(H,22,23)
InChIKeyREQQNHRNGZOGCI-UHFFFAOYSA-N
XLogP4.01
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8891121
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 78779251
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55356708
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 30859534) is 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)COc3ccccc3C#N)c2)cs1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is REQQNHRNGZOGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-13-21-17(12-25-13)14-6-4-7-16(9-14)22-19(23)11-24-18-8-3-2-5-15(18)10-20/h2-9,12H,11H2,1H3,(H,22,23).
What are the key properties of 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 30859534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).