2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C16H16N4O2S — CID 2479222

IUPAC2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1
InChIInChI=1S/C16H16N4O2S/c1-20-7-6-13-14(9-20)23-16(18-13)19-15(21)10-22-12-4-2-11(8-17)3-5-12/h2-5H,6-7,9-10H2,1H3,(H,18,19,21)
InChIKeyGOCLQSRVVHWQBF-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 2479222) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID2479222
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESCN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1
InChIInChI=1S/C16H16N4O2S/c1-20-7-6-13-14(9-20)23-16(18-13)19-15(21)10-22-12-4-2-11(8-17)3-5-12/h2-5H,6-7,9-10H2,1H3,(H,18,19,21)
InChIKeyGOCLQSRVVHWQBF-UHFFFAOYSA-N
XLogP2.02
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 2479222) is 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is CN1CCc2nc(NC(=O)COc3ccc(C#N)cc3)sc2C1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is GOCLQSRVVHWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20-7-6-13-14(9-20)23-16(18-13)19-15(21)10-22-12-4-2-11(8-17)3-5-12/h2-5H,6-7,9-10H2,1H3,(H,18,19,21).
What are the key properties of 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 2479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).