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

C19H15N3O2S — CID 11068060

IUPAC2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)sn1
InChIInChI=1S/C19H15N3O2S/c1-13-10-19(25-22-13)21-18(23)11-14-2-6-16(7-3-14)24-17-8-4-15(12-20)5-9-17/h2-10H,11H2,1H3,(H,21,23)
InChIKeyWLGNLLJBLPQZCZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.30
Rot. Bonds5

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

2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 11068060) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID11068060
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)sn1
InChIInChI=1S/C19H15N3O2S/c1-13-10-19(25-22-13)21-18(23)11-14-2-6-16(7-3-14)24-17-8-4-15(12-20)5-9-17/h2-10H,11H2,1H3,(H,21,23)
InChIKeyWLGNLLJBLPQZCZ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60578153
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 10222620
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
2-[3-[(4-cyanophenyl)methyl]-6-nitroindolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 11619203
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-[(4-cyanophenyl)methylsulfanyl]-N-(3-phenyl-1,2-thiazol-5-yl)acetamide
CID 86974990
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide (CID 11068060) is 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide is Cc1cc(NC(=O)Cc2ccc(Oc3ccc(C#N)cc3)cc2)sn1.
What is the InChIKey of 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is WLGNLLJBLPQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-13-10-19(25-22-13)21-18(23)11-14-2-6-16(7-3-14)24-17-8-4-15(12-20)5-9-17/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 11068060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).