N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide

C15H16N2O3S — CID 2101250

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-3-13(18)11-4-6-12(7-5-11)20-8-14(19)17-15-16-10(2)9-21-15/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyQNNOUDLYFRWWPD-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.06
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 2101250) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
PubChem CID2101250
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-3-13(18)11-4-6-12(7-5-11)20-8-14(19)17-15-16-10(2)9-21-15/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyQNNOUDLYFRWWPD-UHFFFAOYSA-N
XLogP3.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide (CID 2101250) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is QNNOUDLYFRWWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-13(18)11-4-6-12(7-5-11)20-8-14(19)17-15-16-10(2)9-21-15/h4-7,9H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 304.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2101250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).