(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

C14H18N4O2S — CID 107396067

IUPAC(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2sc3nnccc3c2N)C1
InChIInChI=1S/C14H18N4O2S/c1-14(20-2)5-3-7-18(8-14)13(19)11-10(15)9-4-6-16-17-12(9)21-11/h4,6H,3,5,7-8,15H2,1-2H3
InChIKeyBPRYVRKVXTZWHC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.91
Rot. Bonds2

About (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone

(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (PubChem CID 107396067) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
PubChem CID107396067
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
SMILESCOC1(C)CCCN(C(=O)c2sc3nnccc3c2N)C1
InChIInChI=1S/C14H18N4O2S/c1-14(20-2)5-3-7-18(8-14)13(19)11-10(15)9-4-6-16-17-12(9)21-11/h4,6H,3,5,7-8,15H2,1-2H3
InChIKeyBPRYVRKVXTZWHC-UHFFFAOYSA-N
XLogP1.91
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone (CID 107396067) is (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is COC1(C)CCCN(C(=O)c2sc3nnccc3c2N)C1.
What is the InChIKey of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is BPRYVRKVXTZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-14(20-2)5-3-7-18(8-14)13(19)11-10(15)9-4-6-16-17-12(9)21-11/h4,6H,3,5,7-8,15H2,1-2H3.
What are the key properties of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone?
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107396067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).