azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone

C12H17NOS — CID 39959347

IUPACazetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC2)sc1C
InChIInChI=1S/C12H17NOS/c1-3-5-10-8-11(15-9(10)2)12(14)13-6-4-7-13/h8H,3-7H2,1-2H3
InChIKeyPBSCSKIIKYUPMR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.85
Rot. Bonds3

About azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone

azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone (PubChem CID 39959347) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
PubChem CID39959347
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Nameazetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC2)sc1C
InChIInChI=1S/C12H17NOS/c1-3-5-10-8-11(15-9(10)2)12(14)13-6-4-7-13/h8H,3-7H2,1-2H3
InChIKeyPBSCSKIIKYUPMR-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(3,4-dihydroxypyrrolidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 106671858
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
(3-hydroxyazetidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 63107136
6-(5-methyl-4-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175440
1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433624
4-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720659
2-[1-(5-methyl-4-propylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681485
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-4-propylthiophen-2-yl)methanone
CID 26382500
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methyl-4-propylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 33184971
N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9370219

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone (CID 39959347) is azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone is CCCc1cc(C(=O)N2CCC2)sc1C.
What is the InChIKey of azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone?
The InChIKey is PBSCSKIIKYUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-5-10-8-11(15-9(10)2)12(14)13-6-4-7-13/h8H,3-7H2,1-2H3.
What are the key properties of azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone?
azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone has a molecular weight of 223.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-methyl-4-propylthiophen-2-yl)methanone is sourced from PubChem (CID 39959347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).