N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide

C13H12N4O3S — CID 661822

IUPACN-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1
InChIInChI=1S/C13H12N4O3S/c1-20-9-4-2-3-8(5-9)15-12(19)10-6-11(18)17-7-14-16-13(17)21-10/h2-5,7,10H,6H2,1H3,(H,15,19)
InChIKeyBPXXZHVSAQGMTQ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.43
Rot. Bonds3

About N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide

N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide (PubChem CID 661822) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
PubChem CID661822
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1
InChIInChI=1S/C13H12N4O3S/c1-20-9-4-2-3-8(5-9)15-12(19)10-6-11(18)17-7-14-16-13(17)21-10/h2-5,7,10H,6H2,1H3,(H,15,19)
InChIKeyBPXXZHVSAQGMTQ-UHFFFAOYSA-N
XLogP1.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide (CID 661822) is N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide is COc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
The InChIKey is BPXXZHVSAQGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-20-9-4-2-3-8(5-9)15-12(19)10-6-11(18)17-7-14-16-13(17)21-10/h2-5,7,10H,6H2,1H3,(H,15,19).
What are the key properties of N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide?
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide is sourced from PubChem (CID 661822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).