2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole

C8H10N2S2 — CID 15723756

IUPAC2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole
SMILESCSc1ccsc1C1=NCCN1
InChIInChI=1S/C8H10N2S2/c1-11-6-2-5-12-7(6)8-9-3-4-10-8/h2,5H,3-4H2,1H3,(H,9,10)
InChIKeyDWKUHFHLMMYZNF-UHFFFAOYSA-N
MW198.32 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole

2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 15723756) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID15723756
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole
SMILESCSc1ccsc1C1=NCCN1
InChIInChI=1S/C8H10N2S2/c1-11-6-2-5-12-7(6)8-9-3-4-10-8/h2,5H,3-4H2,1H3,(H,9,10)
InChIKeyDWKUHFHLMMYZNF-UHFFFAOYSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Thiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 12333190
4,5-dihydro-2-(3-methyl-2-thienyl)-1H-imidazole
CID 14964720
2-(2-(thiophen-2-yl)ethyl)-4,5-dihydro-1H-imidazole
CID 44587507
N-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12280903
N-(thiophen-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 4852849
N-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2123623
2-((5S,4R)-4,5-di(2-thienyl)-2-imidazolin-2-yl)thiophene
CID 11162886
1,3-DiThenyl-guanidin
CID 129888293
1-Prop-2-ynyl-2-thiophen-2-yl-4,5-dihydroimidazole
CID 176432035
N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide;hydrochloride
CID 56800148
N'-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]thiophene-2-carboximidamide
CID 56800149
2-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54611616

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole (CID 15723756) is 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole is CSc1ccsc1C1=NCCN1.
What is the InChIKey of 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is DWKUHFHLMMYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-11-6-2-5-12-7(6)8-9-3-4-10-8/h2,5H,3-4H2,1H3,(H,9,10).
What are the key properties of 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole?
2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 198.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylthiophen-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 15723756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).