3-(5-methylthiophen-2-yl)azetidine

C8H11NS — CID 130160315

IUPAC3-(5-methylthiophen-2-yl)azetidine
SMILESCc1ccc(C2CNC2)s1
InChIInChI=1S/C8H11NS/c1-6-2-3-8(10-6)7-4-9-5-7/h2-3,7,9H,4-5H2,1H3
InChIKeyODGHVSCYRDXOGP-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.74
Rot. Bonds1

About 3-(5-methylthiophen-2-yl)azetidine

3-(5-methylthiophen-2-yl)azetidine (PubChem CID 130160315) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)azetidine.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)azetidine
PubChem CID130160315
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-(5-methylthiophen-2-yl)azetidine
SMILESCc1ccc(C2CNC2)s1
InChIInChI=1S/C8H11NS/c1-6-2-3-8(10-6)7-4-9-5-7/h2-3,7,9H,4-5H2,1H3
InChIKeyODGHVSCYRDXOGP-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-methylthiophen-2-yl)azepane
CID 83260945
2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
CID 118423631
3-(5-propan-2-ylthiophen-2-yl)azetidine
CID 177099821
2-(3,5-dimethylcyclohexyl)-5-methylthiophene
CID 140576019
5-(5-methylthiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 70916934
(3S,4R)-4-(5-methylthiophen-2-yl)pyrrolidine-3-carbonitrile
CID 129494034
carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
CID 160524844
methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate
CID 121199335
[4-(5-methylthiophen-2-yl)cyclohexyl]phosphonic acid
CID 138723062
1-ethyl-2-(5-methylthiophen-2-yl)piperazine
CID 82673248
2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 55255317
5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane
CID 66227054

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)azetidine?
The IUPAC name of 3-(5-methylthiophen-2-yl)azetidine (CID 130160315) is 3-(5-methylthiophen-2-yl)azetidine.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)azetidine?
The canonical SMILES for 3-(5-methylthiophen-2-yl)azetidine is Cc1ccc(C2CNC2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)azetidine?
The InChIKey is ODGHVSCYRDXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-2-3-8(10-6)7-4-9-5-7/h2-3,7,9H,4-5H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)azetidine?
3-(5-methylthiophen-2-yl)azetidine has a molecular weight of 153.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)azetidine is sourced from PubChem (CID 130160315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).