1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone

C10H12N2OS2 — CID 4058355

IUPAC1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
SMILESCSC1=NCCN1C(=O)Cc1cccs1
InChIInChI=1S/C10H12N2OS2/c1-14-10-11-4-5-12(10)9(13)7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3
InChIKeyIVRRREQIUMPWKP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.85
Rot. Bonds2

About 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone

1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone (PubChem CID 4058355) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
PubChem CID4058355
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
SMILESCSC1=NCCN1C(=O)Cc1cccs1
InChIInChI=1S/C10H12N2OS2/c1-14-10-11-4-5-12(10)9(13)7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3
InChIKeyIVRRREQIUMPWKP-UHFFFAOYSA-N
XLogP1.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 5055867
1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-thiophen-2-ylethanone
CID 4581954
(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-thiophen-2-ylmethanone
CID 4379738
1-(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 5019881
N-butyl-N-ethyl-2-(2-thienyl)acetamide
CID 2166904
2-Thiopheneacetamide, N,N-dibutyl-
CID 532844
5-methyl-N-{(2Z)-3-[(5-methylthiophen-2-yl)carbonyl]-1,3-thiazolidin-2-ylidene}thiophene-2-carboxamide
CID 1226377
N,N-dipropyl-2-(2-thienyl)acetamide
CID 670016
N,N-diethyl-2-(2-thienyl)acetamide
CID 669955
1-(2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-(thiophen-2-yl)ethanone
CID 3413161
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone
CID 4548731
1-(4-Methyl-1,4-diazepan-1-yl)-2-thiophen-2-ylethanone
CID 6466669

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone (CID 4058355) is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone is CSC1=NCCN1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is IVRRREQIUMPWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-14-10-11-4-5-12(10)9(13)7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone?
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 4058355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).