4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide

C19H19N3O3S — CID 2578872

IUPAC4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-12-4-6-18(23)22-19-21-17(13-26-19)16-5-2-3-11-20-16/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,21,22,23)
InChIKeyANRQEJCUVUFCLU-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.01
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide

4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 2578872) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID2578872
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-12-4-6-18(23)22-19-21-17(13-26-19)16-5-2-3-11-20-16/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,21,22,23)
InChIKeyANRQEJCUVUFCLU-UHFFFAOYSA-N
XLogP4.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide (CID 2578872) is 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide is COc1ccc(OCCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ANRQEJCUVUFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-14-7-9-15(10-8-14)25-12-4-6-18(23)22-19-21-17(13-26-19)16-5-2-3-11-20-16/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,21,22,23).
What are the key properties of 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide?
4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 369.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2578872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).