(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone

C13H14N4OS — CID 126853351

IUPAC(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(Nc3cccnn3)C2)c1
InChIInChI=1S/C13H14N4OS/c1-9-5-11(19-8-9)13(18)17-6-10(7-17)15-12-3-2-4-14-16-12/h2-5,8,10H,6-7H2,1H3,(H,15,16)
InChIKeyCSFSALVPLPUCBH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.78
Rot. Bonds3

About (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone

(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone (PubChem CID 126853351) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone
PubChem CID126853351
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CC(Nc3cccnn3)C2)c1
InChIInChI=1S/C13H14N4OS/c1-9-5-11(19-8-9)13(18)17-6-10(7-17)15-12-3-2-4-14-16-12/h2-5,8,10H,6-7H2,1H3,(H,15,16)
InChIKeyCSFSALVPLPUCBH-UHFFFAOYSA-N
XLogP1.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
CID 144655820
[3-(pyridazin-3-ylamino)azetidin-1-yl]-thiophen-3-ylmethanone
CID 126853348
(2-chloro-4-methylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 136536011
3-(4-methylsulfonylphenyl)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
CID 131702175
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-methylthiophen-2-yl)methanone
CID 121190850
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122336406
2-(1,3-benzodioxol-5-yloxy)-1-[3-(pyridazin-3-ylamino)azetidin-1-yl]propan-1-one
CID 126855196
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556
(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
CID 71809293

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone (CID 126853351) is (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone is Cc1csc(C(=O)N2CC(Nc3cccnn3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone?
The InChIKey is CSFSALVPLPUCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-5-11(19-8-9)13(18)17-6-10(7-17)15-12-3-2-4-14-16-12/h2-5,8,10H,6-7H2,1H3,(H,15,16).
What are the key properties of (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone?
(4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone has a molecular weight of 274.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[3-(pyridazin-3-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 126853351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).