5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide

C15H14N4O5S2 — CID 71788236

IUPAC5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccco4)on3)sc2C1
InChIInChI=1S/C15H14N4O5S2/c1-26(21,22)19-5-4-9-13(8-19)25-15(16-9)17-14(20)10-7-12(24-18-10)11-3-2-6-23-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,20)
InChIKeyYJZDWISNEDEKKA-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.96
Rot. Bonds4

About 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71788236) has the molecular formula C15H14N4O5S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71788236
Molecular FormulaC15H14N4O5S2
Molecular Weight394.43 g/mol
Exact Mass394.04
IUPAC Name5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccco4)on3)sc2C1
InChIInChI=1S/C15H14N4O5S2/c1-26(21,22)19-5-4-9-13(8-19)25-15(16-9)17-14(20)10-7-12(24-18-10)11-3-2-6-23-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,20)
InChIKeyYJZDWISNEDEKKA-UHFFFAOYSA-N
XLogP1.96
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide (CID 71788236) is 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide is CS(=O)(=O)N1CCc2nc(NC(=O)c3cc(-c4ccco4)on3)sc2C1.
What is the InChIKey of 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YJZDWISNEDEKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S2/c1-26(21,22)19-5-4-9-13(8-19)25-15(16-9)17-14(20)10-7-12(24-18-10)11-3-2-6-23-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,20).
What are the key properties of 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71788236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).