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

C17H12N4O2S — CID 4799321

IUPAC2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C17H12N4O2S/c18-8-12-3-5-14(6-4-12)23-10-16(22)21-17-20-15(11-24-17)13-2-1-7-19-9-13/h1-7,9,11H,10H2,(H,20,21,22)
InChIKeyBBQTZYTXTRDHKV-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.09
Rot. Bonds5

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

2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4799321) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4799321
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C17H12N4O2S/c18-8-12-3-5-14(6-4-12)23-10-16(22)21-17-20-15(11-24-17)13-2-1-7-19-9-13/h1-7,9,11H,10H2,(H,20,21,22)
InChIKeyBBQTZYTXTRDHKV-UHFFFAOYSA-N
XLogP3.09
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 2428133
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 8780817
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 4799321) is 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is N#Cc1ccc(OCC(=O)Nc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BBQTZYTXTRDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-8-12-3-5-14(6-4-12)23-10-16(22)21-17-20-15(11-24-17)13-2-1-7-19-9-13/h1-7,9,11H,10H2,(H,20,21,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 336.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4799321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).