5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide

C16H12ClN3O4S — CID 42227129

IUPAC5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1
InChIInChI=1S/C16H12ClN3O4S/c1-9-19-20-16(25-9)18-15(22)13-6-12(21)14(8-24-13)23-7-10-2-4-11(17)5-3-10/h2-6,8H,7H2,1H3,(H,18,20,22)
InChIKeyABLNDOHEDRUMDL-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.28
Rot. Bonds5

About 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide

5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide (PubChem CID 42227129) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
PubChem CID42227129
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC Name5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1
InChIInChI=1S/C16H12ClN3O4S/c1-9-19-20-16(25-9)18-15(22)13-6-12(21)14(8-24-13)23-7-10-2-4-11(17)5-3-10/h2-6,8H,7H2,1H3,(H,18,20,22)
InChIKeyABLNDOHEDRUMDL-UHFFFAOYSA-N
XLogP3.28
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide
CID 52902734
5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 30864830
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42226983
2-(4-acetylpiperazine-1-carbonyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
CID 42227134
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
methyl (2R)-2-[[5-[(3,4-dichlorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]propanoate
CID 124661591
5-[(4-chlorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide
CID 52898168
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
CID 82063981
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
CID 45493609

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide (CID 42227129) is 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide is Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)co2)s1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The InChIKey is ABLNDOHEDRUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c1-9-19-20-16(25-9)18-15(22)13-6-12(21)14(8-24-13)23-7-10-2-4-11(17)5-3-10/h2-6,8H,7H2,1H3,(H,18,20,22).
What are the key properties of 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide has a molecular weight of 377.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).