2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone

C10H13NOS — CID 116582234

IUPAC2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2CNC2)s1
InChIInChI=1S/C10H13NOS/c1-7-2-3-10(13-7)9(12)4-8-5-11-6-8/h2-3,8,11H,4-6H2,1H3
InChIKeyZTLKDDRSHXWTFE-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.85
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 116582234) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID116582234
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CC2CNC2)s1
InChIInChI=1S/C10H13NOS/c1-7-2-3-10(13-7)9(12)4-8-5-11-6-8/h2-3,8,11H,4-6H2,1H3
InChIKeyZTLKDDRSHXWTFE-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
2-(1,1-dioxothiolan-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 105111563
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
2-(1-methylcyclopropyl)-1-(5-methylthiophen-2-yl)ethanone
CID 131151079
2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989569
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 116582234) is 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CC2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is ZTLKDDRSHXWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-2-3-10(13-7)9(12)4-8-5-11-6-8/h2-3,8,11H,4-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 195.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 116582234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).