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

C17H12N4O2S — CID 4802690

IUPAC2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H12N4O2S/c18-9-12-5-1-2-7-15(12)23-10-16(22)21-17-20-14(11-24-17)13-6-3-4-8-19-13/h1-8,11H,10H2,(H,20,21,22)
InChIKeyDQSFNIGSUZIHJD-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.09
Rot. Bonds5

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

2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4802690) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4802690
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H12N4O2S/c18-9-12-5-1-2-7-15(12)23-10-16(22)21-17-20-14(11-24-17)13-6-3-4-8-19-13/h1-8,11H,10H2,(H,20,21,22)
InChIKeyDQSFNIGSUZIHJD-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 4802690) is 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DQSFNIGSUZIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c18-9-12-5-1-2-7-15(12)23-10-16(22)21-17-20-14(11-24-17)13-6-3-4-8-19-13/h1-8,11H,10H2,(H,20,21,22).
What are the key properties of 2-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-cyanophenoxy)-N-(4-pyridin-2-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-(2-cyanophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4802690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).