(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone

C19H19FN4OS2 — CID 122691509

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone
SMILESCc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1
InChIInChI=1S/C19H19FN4OS2/c1-9-4-5-14(13(20)6-9)26-12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)27-17/h4-6,12H,7-8,21H2,1-3H3
InChIKeyRLGBAQISAIEYHA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.95
Rot. Bonds3

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone (PubChem CID 122691509) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone
PubChem CID122691509
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone
SMILESCc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1
InChIInChI=1S/C19H19FN4OS2/c1-9-4-5-14(13(20)6-9)26-12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)27-17/h4-6,12H,7-8,21H2,1-3H3
InChIKeyRLGBAQISAIEYHA-UHFFFAOYSA-N
XLogP3.95
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[1-(2-fluoro-4-methylbenzoyl)pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691556
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(benzenesulfonyl)azetidin-1-yl]methanone;(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylsulfanylazetidin-1-yl)methanone
CID 158393556
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanone
CID 71735834
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-ethynylpiperidin-1-yl)methanone
CID 122691575
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-pyridin-3-ylmethanone
CID 155539719
5-amino-N-[1-[2-(1,1-difluoroethoxy)phenyl]pyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122691445
5-amino-N',N',3,4-tetramethylthieno[2,3-c]pyridazine-6-carbohydrazide
CID 83025023
(3-amino-4-fluoro-1-benzothiophen-2-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79512175
5-amino-N-[[4-fluoro-3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 158177549
5-amino-3,4-dimethyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 134502874
3-[[(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]amino]-N-[4-(difluoromethoxy)phenyl]azetidine-1-carboxamide
CID 162569962
[3-amino-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 99934587

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone (CID 122691509) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone is Cc1ccc(SC2CN(C(=O)c3sc4nnc(C)c(C)c4c3N)C2)c(F)c1.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone?
The InChIKey is RLGBAQISAIEYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c1-9-4-5-14(13(20)6-9)26-12-7-24(8-12)19(25)17-16(21)15-10(2)11(3)22-23-18(15)27-17/h4-6,12H,7-8,21H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone has a molecular weight of 402.52 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(2-fluoro-4-methylphenyl)sulfanylazetidin-1-yl]methanone is sourced from PubChem (CID 122691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).