2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C16H15N3O4S — CID 2967064

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C16H15N3O4S/c1-8-6-14(20)23-13-7-11(4-5-12(8)13)22-9(2)15(21)17-16-19-18-10(3)24-16/h4-7,9H,1-3H3,(H,17,19,21)
InChIKeyWRRPDOYKPXSJRK-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2967064) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2967064
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C16H15N3O4S/c1-8-6-14(20)23-13-7-11(4-5-12(8)13)22-9(2)15(21)17-16-19-18-10(3)24-16/h4-7,9H,1-3H3,(H,17,19,21)
InChIKeyWRRPDOYKPXSJRK-UHFFFAOYSA-N
XLogP2.67
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2967627
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 19191782
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 2967064) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)s1.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is WRRPDOYKPXSJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-8-6-14(20)23-13-7-11(4-5-12(8)13)22-9(2)15(21)17-16-19-18-10(3)24-16/h4-7,9H,1-3H3,(H,17,19,21).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 345.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).