5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide

C11H10N2O4S — CID 27378240

IUPAC5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2nc(C)cs2)cc1=O
InChIInChI=1S/C11H10N2O4S/c1-6-5-18-11(12-6)13-10(15)8-3-7(14)9(16-2)4-17-8/h3-5H,1-2H3,(H,12,13,15)
InChIKeyCJDDXMZFYOOOHZ-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.67
Rot. Bonds3

About 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide

5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide (PubChem CID 27378240) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide
PubChem CID27378240
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2nc(C)cs2)cc1=O
InChIInChI=1S/C11H10N2O4S/c1-6-5-18-11(12-6)13-10(15)8-3-7(14)9(16-2)4-17-8/h3-5H,1-2H3,(H,12,13,15)
InChIKeyCJDDXMZFYOOOHZ-UHFFFAOYSA-N
XLogP1.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide (CID 27378240) is 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide is COc1coc(C(=O)Nc2nc(C)cs2)cc1=O.
What is the InChIKey of 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide?
The InChIKey is CJDDXMZFYOOOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-6-5-18-11(12-6)13-10(15)8-3-7(14)9(16-2)4-17-8/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide?
5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 27378240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).