2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C12H11N3O2S — CID 2340817

IUPAC2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H11N3O2S/c13-7-9-1-3-10(4-2-9)17-8-11(16)15-12-14-5-6-18-12/h1-4H,5-6,8H2,(H,14,15,16)
InChIKeyYQSXVYHZUMSQNX-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.16
Rot. Bonds3

About 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 2340817) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID2340817
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C12H11N3O2S/c13-7-9-1-3-10(4-2-9)17-8-11(16)15-12-14-5-6-18-12/h1-4H,5-6,8H2,(H,14,15,16)
InChIKeyYQSXVYHZUMSQNX-UHFFFAOYSA-N
XLogP1.16
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 1086015
N-(4,5-Dihydro-thiazol-2-yl)-2-p-tolyloxy-acetamide
CID 801165
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
CID 801462
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 903129
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 924631
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 2423141
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 924659
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 24250942
N-(5-methyl-4-oxo-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2903852
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 924632
Cambridge id 6985285
CID 924596

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 2340817) is 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is N#Cc1ccc(OCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is YQSXVYHZUMSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-7-9-1-3-10(4-2-9)17-8-11(16)15-12-14-5-6-18-12/h1-4H,5-6,8H2,(H,14,15,16).
What are the key properties of 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 261.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2340817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).