5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

C16H13N3O3S — CID 661020

IUPAC5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCOc1ccc(-c2nc3n(n2)C(=O)CC(c2ccco2)S3)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-11-6-4-10(5-7-11)15-17-16-19(18-15)14(20)9-13(23-16)12-3-2-8-22-12/h2-8,13H,9H2,1H3
InChIKeyAXBMNUDRRFIDSU-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.42
Rot. Bonds3

About 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one

5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (PubChem CID 661020) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
PubChem CID661020
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILESCOc1ccc(-c2nc3n(n2)C(=O)CC(c2ccco2)S3)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-11-6-4-10(5-7-11)15-17-16-19(18-15)14(20)9-13(23-16)12-3-2-8-22-12/h2-8,13H,9H2,1H3
InChIKeyAXBMNUDRRFIDSU-UHFFFAOYSA-N
XLogP3.42
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The IUPAC name of 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one (CID 661020) is 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
What is the SMILES notation for 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The canonical SMILES for 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is COc1ccc(-c2nc3n(n2)C(=O)CC(c2ccco2)S3)cc1.
What is the InChIKey of 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
The InChIKey is AXBMNUDRRFIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-21-11-6-4-10(5-7-11)15-17-16-19(18-15)14(20)9-13(23-16)12-3-2-8-22-12/h2-8,13H,9H2,1H3.
What are the key properties of 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one?
5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one has a molecular weight of 327.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one is sourced from PubChem (CID 661020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).