(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone

C11H16N2OS — CID 105101153

IUPAC(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(C)CCCS1
InChIInChI=1S/C11H16N2OS/c1-3-13-7-6-12-10(13)9(14)11(2)5-4-8-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeyTUNFJOCDLWTFBD-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.37
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone

(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone (PubChem CID 105101153) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
PubChem CID105101153
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone
SMILESCCn1ccnc1C(=O)C1(C)CCCS1
InChIInChI=1S/C11H16N2OS/c1-3-13-7-6-12-10(13)9(14)11(2)5-4-8-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeyTUNFJOCDLWTFBD-UHFFFAOYSA-N
XLogP2.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethylimidazol-2-yl)-(2-methylthiolan-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

(1-ethylcyclopentyl)-(1-ethylimidazol-2-yl)methanone
CID 114973020
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-ethylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80683731
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 116579048
(1-ethoxy-4,4-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 116750075
(1-ethylimidazol-2-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608218
(2,2-dimethylcyclohexyl)-(1-ethylimidazol-2-yl)methanone
CID 107186966
2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
cyclohepten-1-yl-(1-ethylimidazol-2-yl)methanone
CID 103450449
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone (CID 105101153) is (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone is CCn1ccnc1C(=O)C1(C)CCCS1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is TUNFJOCDLWTFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-13-7-6-12-10(13)9(14)11(2)5-4-8-15-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone?
(1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 105101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).