N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C16H13N5O3S2 — CID 17402536

IUPACN-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CSc3ncnc4sccc34)oc(C)c12
InChIInChI=1S/C16H13N5O3S2/c1-7-11-8(2)24-14(12(11)13(23)21-20-7)19-10(22)5-26-16-9-3-4-25-15(9)17-6-18-16/h3-4,6H,5H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyAEFKKJQEBGYSDY-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.87
Rot. Bonds4

About N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 17402536) has the molecular formula C16H13N5O3S2 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID17402536
Molecular FormulaC16H13N5O3S2
Molecular Weight387.45 g/mol
Exact Mass387.05
IUPAC NameN-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCc1n[nH]c(=O)c2c(NC(=O)CSc3ncnc4sccc34)oc(C)c12
InChIInChI=1S/C16H13N5O3S2/c1-7-11-8(2)24-14(12(11)13(23)21-20-7)19-10(22)5-26-16-9-3-4-25-15(9)17-6-18-16/h3-4,6H,5H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyAEFKKJQEBGYSDY-UHFFFAOYSA-N
XLogP2.87
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 17402536) is N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is Cc1n[nH]c(=O)c2c(NC(=O)CSc3ncnc4sccc34)oc(C)c12.
What is the InChIKey of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is AEFKKJQEBGYSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S2/c1-7-11-8(2)24-14(12(11)13(23)21-20-7)19-10(22)5-26-16-9-3-4-25-15(9)17-6-18-16/h3-4,6H,5H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 387.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 17402536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).