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

C17H15N3O5S — CID 42317250

IUPAC5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCOc1cccc(COc2coc(C(=O)Nc3nnc(C)s3)cc2=O)c1
InChIInChI=1S/C17H15N3O5S/c1-10-19-20-17(26-10)18-16(22)14-7-13(21)15(9-25-14)24-8-11-4-3-5-12(6-11)23-2/h3-7,9H,8H2,1-2H3,(H,18,20,22)
InChIKeyKZNSJZWPGOCRAV-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.64
Rot. Bonds6

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

5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide (PubChem CID 42317250) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
PubChem CID42317250
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCOc1cccc(COc2coc(C(=O)Nc3nnc(C)s3)cc2=O)c1
InChIInChI=1S/C17H15N3O5S/c1-10-19-20-17(26-10)18-16(22)14-7-13(21)15(9-25-14)24-8-11-4-3-5-12(6-11)23-2/h3-7,9H,8H2,1-2H3,(H,18,20,22)
InChIKeyKZNSJZWPGOCRAV-UHFFFAOYSA-N
XLogP2.64
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide with MolForge

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Related Compounds

5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 30864830
ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
CID 30860274
ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
CID 42317305
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42226983
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17379713
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide (CID 42317250) is 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide is COc1cccc(COc2coc(C(=O)Nc3nnc(C)s3)cc2=O)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
The InChIKey is KZNSJZWPGOCRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-10-19-20-17(26-10)18-16(22)14-7-13(21)15(9-25-14)24-8-11-4-3-5-12(6-11)23-2/h3-7,9H,8H2,1-2H3,(H,18,20,22).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide?
5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42317250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).