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

C17H15N3O2S — CID 2161245

IUPAC2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-6-4-12(5-7-14)9-16(21)20-17-19-15(11-23-17)13-3-2-8-18-10-13/h2-8,10-11H,9H2,1H3,(H,19,20,21)
InChIKeyLCKIMIQTFZKZTB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.39
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2161245) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2161245
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-6-4-12(5-7-14)9-16(21)20-17-19-15(11-23-17)13-3-2-8-18-10-13/h2-8,10-11H,9H2,1H3,(H,19,20,21)
InChIKeyLCKIMIQTFZKZTB-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-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 2161245) is 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LCKIMIQTFZKZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-6-4-12(5-7-14)9-16(21)20-17-19-15(11-23-17)13-3-2-8-18-10-13/h2-8,10-11H,9H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(4-pyridin-3-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-(4-methoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2161245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).