2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

C13H14N2O2S — CID 2977276

IUPAC2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2nccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-9-4-3-5-11(8-9)17-10(2)12(16)15-13-14-6-7-18-13/h3-8,10H,1-2H3,(H,14,15,16)
InChIKeyBDSANOHVUHWEGG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.86
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide

2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2977276) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2977276
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2nccs2)c1
InChIInChI=1S/C13H14N2O2S/c1-9-4-3-5-11(8-9)17-10(2)12(16)15-13-14-6-7-18-13/h3-8,10H,1-2H3,(H,14,15,16)
InChIKeyBDSANOHVUHWEGG-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 2977276) is 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is Cc1cccc(OC(C)C(=O)Nc2nccs2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is BDSANOHVUHWEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-4-3-5-11(8-9)17-10(2)12(16)15-13-14-6-7-18-13/h3-8,10H,1-2H3,(H,14,15,16).
What are the key properties of 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 262.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2977276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).