N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide

C13H14N2O2S — CID 26197793

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
SMILESCc1cnc(NC(=O)CCOc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S/c1-10-9-14-13(18-10)15-12(16)7-8-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyRKZNORVFGAOUAB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.86
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide (PubChem CID 26197793) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
PubChem CID26197793
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
SMILESCc1cnc(NC(=O)CCOc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S/c1-10-9-14-13(18-10)15-12(16)7-8-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyRKZNORVFGAOUAB-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide (CID 26197793) is N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide is Cc1cnc(NC(=O)CCOc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
The InChIKey is RKZNORVFGAOUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-9-14-13(18-10)15-12(16)7-8-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide has a molecular weight of 262.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 26197793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).