5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole

C12H18N2S — CID 58575744

IUPAC5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole
SMILESC=C1SC[C@H](Cc2cncn2C)[C@@H]1CC
InChIInChI=1S/C12H18N2S/c1-4-12-9(2)15-7-10(12)5-11-6-13-8-14(11)3/h6,8,10,12H,2,4-5,7H2,1,3H3/t10-,12+/m0/s1
InChIKeyAIQIBPOQEIVYJZ-CMPLNLGQSA-N
MW222.36 g/mol
LogP2.87
Rot. Bonds3

About 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole

5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole (PubChem CID 58575744) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole
PubChem CID58575744
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole
SMILESC=C1SC[C@H](Cc2cncn2C)[C@@H]1CC
InChIInChI=1S/C12H18N2S/c1-4-12-9(2)15-7-10(12)5-11-6-13-8-14(11)3/h6,8,10,12H,2,4-5,7H2,1,3H3/t10-,12+/m0/s1
InChIKeyAIQIBPOQEIVYJZ-CMPLNLGQSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole 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

Sdz ens 163
CID 189509
3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-dihydro-thiophen-2-one
CID 14211049
3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-dihydro-thiophene-2-thione
CID 14211052
Thiopilocarpine phosphate
CID 189508
3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-tetrahydro-thiophen-2-ol
CID 14211056
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-ol
CID 14211057
3-Ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one
CID 14211048
4-Cyclohexyl-1-methylimidazole
CID 53852293
5-(2-Methylpropyl)-1-octylimidazol-2-amine
CID 54752932
3-Methyl-2-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]butan-1-amine
CID 106433524
4-[(2S)-1-[(R)-tert-butylsulfinyl]-3-methylbutan-2-yl]-1-[[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]imidazole
CID 161335339
(3S)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one
CID 10130733

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole?
The IUPAC name of 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole (CID 58575744) is 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole?
The canonical SMILES for 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole is C=C1SC[C@H](Cc2cncn2C)[C@@H]1CC.
What is the InChIKey of 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole?
The InChIKey is AIQIBPOQEIVYJZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H18N2S/c1-4-12-9(2)15-7-10(12)5-11-6-13-8-14(11)3/h6,8,10,12H,2,4-5,7H2,1,3H3/t10-,12+/m0/s1.
What are the key properties of 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole?
5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole has a molecular weight of 222.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-4-ethyl-5-methylidenethiolan-3-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 58575744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).