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

C13H16N4OS — CID 80518435

IUPAC(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2sc3nnccc3c2N)C1
InChIInChI=1S/C13H16N4OS/c1-8-3-2-6-17(7-8)13(18)11-10(14)9-4-5-15-16-12(9)19-11/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyHPZXQJCKYXNCMU-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.15
Rot. Bonds1

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

(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 80518435) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID80518435
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2sc3nnccc3c2N)C1
InChIInChI=1S/C13H16N4OS/c1-8-3-2-6-17(7-8)13(18)11-10(14)9-4-5-15-16-12(9)19-11/h4-5,8H,2-3,6-7,14H2,1H3
InChIKeyHPZXQJCKYXNCMU-UHFFFAOYSA-N
XLogP2.15
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 80517277
(5-aminothieno[2,3-c]pyridazin-6-yl)-morpholin-4-ylmethanone
CID 80518433
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone
CID 80519131
(5-aminothieno[2,3-c]pyridazin-6-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81217010
(5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 80519226
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 23744160
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107396067
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 7383462
(3-aminothieno[2,3-c]pyridin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 114289114
(3-amino-7-methyl-1-benzothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 107112894
(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 81036363
(3-amino-7-methyl-1-benzothiophen-2-yl)-(4-methylazepan-1-yl)methanone
CID 107113078

Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone (CID 80518435) is (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2sc3nnccc3c2N)C1.
What is the InChIKey of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HPZXQJCKYXNCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-3-2-6-17(7-8)13(18)11-10(14)9-4-5-15-16-12(9)19-11/h4-5,8H,2-3,6-7,14H2,1H3.
What are the key properties of (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone?
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80518435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).