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

C14H18N4OS — CID 80519226

IUPAC(5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C14H18N4OS/c1-8(2)10-4-3-7-18(10)14(19)12-11(15)9-5-6-16-17-13(9)20-12/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyHLAMGBMCYMMGBN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.53
Rot. Bonds2

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

(5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 80519226) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID80519226
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1sc2nnccc2c1N
InChIInChI=1S/C14H18N4OS/c1-8(2)10-4-3-7-18(10)14(19)12-11(15)9-5-6-16-17-13(9)20-12/h5-6,8,10H,3-4,7,15H2,1-2H3
InChIKeyHLAMGBMCYMMGBN-UHFFFAOYSA-N
XLogP2.53
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
(3-amino-5-bromo-1-benzothiophen-2-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 114896664
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4-methoxypiperidin-1-yl)methanone
CID 80519131
(5-aminothieno[2,3-c]pyridazin-6-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 80517277
5-amino-N-(1-cyclopropylethyl)-N-methylthieno[2,3-c]pyridazine-6-carboxamide
CID 80519309
5-amino-N-cyclopropyl-N-(2-methylpropyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519138
(5-aminothieno[2,3-c]pyridazin-6-yl)-morpholin-4-ylmethanone
CID 80518433
5-amino-N-cyclopropyl-N-(3-methylbutyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514419
(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114289208
5-amino-N-(1-amino-1-oxopropan-2-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519148
5-amino-N-(3,4-dimethylcyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80517353
5-amino-N-(dicyclopropylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514656

Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 80519226) is (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1sc2nnccc2c1N.
What is the InChIKey of (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is HLAMGBMCYMMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8(2)10-4-3-7-18(10)14(19)12-11(15)9-5-6-16-17-13(9)20-12/h5-6,8,10H,3-4,7,15H2,1-2H3.
What are the key properties of (5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
(5-aminothieno[2,3-c]pyridazin-6-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.53, 2 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)-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 80519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).