N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

C15H13N5O4S — CID 86266906

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccc(=O)[nH]n3)sc3c2CCOC3)n1
InChIInChI=1S/C15H13N5O4S/c1-7-16-14(24-20-7)12-8-4-5-23-6-10(8)25-15(12)17-13(22)9-2-3-11(21)19-18-9/h2-3H,4-6H2,1H3,(H,17,22)(H,19,21)
InChIKeyOIZQHZBQPWGMKN-UHFFFAOYSA-N
MW359.37 g/mol
LogP1.51
Rot. Bonds3

About N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 86266906) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID86266906
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1noc(-c2c(NC(=O)c3ccc(=O)[nH]n3)sc3c2CCOC3)n1
InChIInChI=1S/C15H13N5O4S/c1-7-16-14(24-20-7)12-8-4-5-23-6-10(8)25-15(12)17-13(22)9-2-3-11(21)19-18-9/h2-3H,4-6H2,1H3,(H,17,22)(H,19,21)
InChIKeyOIZQHZBQPWGMKN-UHFFFAOYSA-N
XLogP1.51
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 86266906) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1noc(-c2c(NC(=O)c3ccc(=O)[nH]n3)sc3c2CCOC3)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OIZQHZBQPWGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-7-16-14(24-20-7)12-8-4-5-23-6-10(8)25-15(12)17-13(22)9-2-3-11(21)19-18-9/h2-3H,4-6H2,1H3,(H,17,22)(H,19,21).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 86266906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).