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

C17H15N3O2S — CID 4803142

IUPAC2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyGOPDRFODUBCWMB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.39
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4803142) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4803142
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21)
InChIKeyGOPDRFODUBCWMB-UHFFFAOYSA-N
XLogP3.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 4803142) is 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is COc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GOPDRFODUBCWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?
2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).