4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide

C15H12N4O3S — CID 44724851

IUPAC4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
SMILESCc1ccc2occ(/C=N\NC(=O)c3snnc3C)c(=O)c2c1
InChIInChI=1S/C15H12N4O3S/c1-8-3-4-12-11(5-8)13(20)10(7-22-12)6-16-18-15(21)14-9(2)17-19-23-14/h3-7H,1-2H3,(H,18,21)/b16-6-
InChIKeyUWDIGTLHKNQJEV-SOFYXZRVSA-N
MW328.35 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide

4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide (PubChem CID 44724851) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
PubChem CID44724851
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
SMILESCc1ccc2occ(/C=N\NC(=O)c3snnc3C)c(=O)c2c1
InChIInChI=1S/C15H12N4O3S/c1-8-3-4-12-11(5-8)13(20)10(7-22-12)6-16-18-15(21)14-9(2)17-19-23-14/h3-7H,1-2H3,(H,18,21)/b16-6-
InChIKeyUWDIGTLHKNQJEV-SOFYXZRVSA-N
XLogP2.03
TPSA97.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
CID 6011150
2-(4-fluorophenyl)-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-6-phenylpyridine-4-carboxamide
CID 44725052
[1-[2-[(6-methyl-4-oxochromen-3-yl)methylidene]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium
CID 4920719
[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]urea
CID 6878010
3-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-6-methylchromen-4-one
CID 162625209
4-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiadiazole-5-carboxamide
CID 5403819
8-chloro-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722867
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6256828
(NE)-4-methyl-N-[(6-methyl-4-oxochromen-3-yl)methylidene]benzenesulfonamide
CID 139223658
zinc;bis(4-[(6-methyl-4-oxochromen-3-yl)methylideneamino]benzenesulfonamide);dihydrochloride
CID 73346691
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
CID 155490492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide (CID 44724851) is 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide is Cc1ccc2occ(/C=N\NC(=O)c3snnc3C)c(=O)c2c1.
What is the InChIKey of 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide?
The InChIKey is UWDIGTLHKNQJEV-SOFYXZRVSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-8-3-4-12-11(5-8)13(20)10(7-22-12)6-16-18-15(21)14-9(2)17-19-23-14/h3-7H,1-2H3,(H,18,21)/b16-6-.
What are the key properties of 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide?
4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide is sourced from PubChem (CID 44724851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).