1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole

C9H12N2S2 — CID 45097295

IUPAC1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole
SMILESCN1CCN=C1SCc1cccs1
InChIInChI=1S/C9H12N2S2/c1-11-5-4-10-9(11)13-7-8-3-2-6-12-8/h2-3,6H,4-5,7H2,1H3
InChIKeyLWSQGBLXMPXPBB-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.28
Rot. Bonds2

About 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole

1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole (PubChem CID 45097295) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole
PubChem CID45097295
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole
SMILESCN1CCN=C1SCc1cccs1
InChIInChI=1S/C9H12N2S2/c1-11-5-4-10-9(11)13-7-8-3-2-6-12-8/h2-3,6H,4-5,7H2,1H3
InChIKeyLWSQGBLXMPXPBB-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-(thiophen-2-ylmethylimino)-1,2,4-dithiazol-3-amine;hydrobromide
CID 378512
(5Z)-N,N-dimethyl-5-(2-thienylmethylimino)-1,2,4-dithiazol-3-amine
CID 378513
3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine
CID 4852846
2-Thenylmercapto-2-imidazoline
CID 129678165
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 53610571
methyl (NE)-N-(dimethylaminomethylidene)-N'-[(E)-thiophen-2-ylmethylideneamino]carbamimidothioate
CID 9555636
2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 412533
Methyl N'-(2-{[(thiophen-2-yl)methyl]sulfanyl}ethyl)carbamimidothioate
CID 13770090
2-Methyl-6-thiophen-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22401728
2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45042037
1-(Thiophen-2-ylmethyl)-4,5-dihydroimidazole
CID 57032743
[5-[(N,N-dimethylcarbamimidoyl)sulfanylmethyl]thiophen-2-yl]methyl N,N,N'-trimethylcarbamimidothioate
CID 89624756

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole (CID 45097295) is 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole is CN1CCN=C1SCc1cccs1.
What is the InChIKey of 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole?
The InChIKey is LWSQGBLXMPXPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S2/c1-11-5-4-10-9(11)13-7-8-3-2-6-12-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole?
1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole has a molecular weight of 212.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(thiophen-2-ylmethylsulfanyl)-4,5-dihydroimidazole is sourced from PubChem (CID 45097295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).