2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C17H16N2O3S2 — CID 108742139

IUPAC2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-11(22-13-7-5-12(21-2)6-8-13)16(20)19-17-18-14(10-24-17)15-4-3-9-23-15/h3-11H,1-2H3,(H,18,19,20)
InChIKeyDFCHBNWEUIGMMT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 108742139) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID108742139
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-11(22-13-7-5-12(21-2)6-8-13)16(20)19-17-18-14(10-24-17)15-4-3-9-23-15/h3-11H,1-2H3,(H,18,19,20)
InChIKeyDFCHBNWEUIGMMT-UHFFFAOYSA-N
XLogP4.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 108742139) is 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is COc1ccc(OC(C)C(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DFCHBNWEUIGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-11(22-13-7-5-12(21-2)6-8-13)16(20)19-17-18-14(10-24-17)15-4-3-9-23-15/h3-11H,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 108742139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).