3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C17H16N2O4S — CID 16604979

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3nccs3)c(=O)oc2c1
InChIInChI=1S/C17H16N2O4S/c1-10-12-4-3-11(22-2)9-14(12)23-16(21)13(10)5-6-15(20)19-17-18-7-8-24-17/h3-4,7-9H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyMBGYJKFMAPPEGG-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.14
Rot. Bonds5

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 16604979) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID16604979
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3nccs3)c(=O)oc2c1
InChIInChI=1S/C17H16N2O4S/c1-10-12-4-3-11(22-2)9-14(12)23-16(21)13(10)5-6-15(20)19-17-18-7-8-24-17/h3-4,7-9H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyMBGYJKFMAPPEGG-UHFFFAOYSA-N
XLogP3.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18103435
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 47074555
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 46554584
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 34464629
(2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
CID 907925
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 46478105

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 16604979) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide is COc1ccc2c(C)c(CCC(=O)Nc3nccs3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MBGYJKFMAPPEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10-12-4-3-11(22-2)9-14(12)23-16(21)13(10)5-6-15(20)19-17-18-7-8-24-17/h3-4,7-9H,5-6H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 344.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16604979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).