N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide

C19H18N2O2S — CID 2979355

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide
SMILESCc1nc(-c2cccc(NC(=O)C(C)Oc3ccccc3)c2)cs1
InChIInChI=1S/C19H18N2O2S/c1-13(23-17-9-4-3-5-10-17)19(22)21-16-8-6-7-15(11-16)18-12-24-14(2)20-18/h3-13H,1-2H3,(H,21,22)
InChIKeyBKRHMUPHCFEMKT-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.52
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide (PubChem CID 2979355) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide
PubChem CID2979355
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide
SMILESCc1nc(-c2cccc(NC(=O)C(C)Oc3ccccc3)c2)cs1
InChIInChI=1S/C19H18N2O2S/c1-13(23-17-9-4-3-5-10-17)19(22)21-16-8-6-7-15(11-16)18-12-24-14(2)20-18/h3-13H,1-2H3,(H,21,22)
InChIKeyBKRHMUPHCFEMKT-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide (CID 2979355) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide is Cc1nc(-c2cccc(NC(=O)C(C)Oc3ccccc3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is BKRHMUPHCFEMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13(23-17-9-4-3-5-10-17)19(22)21-16-8-6-7-15(11-16)18-12-24-14(2)20-18/h3-13H,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 2979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).