N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C19H18N2O5S — CID 2967627

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCC(=O)c1sc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)nc1C
InChIInChI=1S/C19H18N2O5S/c1-9-7-16(23)26-15-8-13(5-6-14(9)15)25-12(4)18(24)21-19-20-10(2)17(27-19)11(3)22/h5-8,12H,1-4H3,(H,20,21,24)
InChIKeyPFZKKGWEPRESTN-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.47
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 2967627) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID2967627
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCC(=O)c1sc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)nc1C
InChIInChI=1S/C19H18N2O5S/c1-9-7-16(23)26-15-8-13(5-6-14(9)15)25-12(4)18(24)21-19-20-10(2)17(27-19)11(3)22/h5-8,12H,1-4H3,(H,20,21,24)
InChIKeyPFZKKGWEPRESTN-UHFFFAOYSA-N
XLogP3.47
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2967064
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 19191782
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
methyl 2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1177917
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 2967627) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is CC(=O)c1sc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is PFZKKGWEPRESTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-9-7-16(23)26-15-8-13(5-6-14(9)15)25-12(4)18(24)21-19-20-10(2)17(27-19)11(3)22/h5-8,12H,1-4H3,(H,20,21,24).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 386.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 2967627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).