2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate

C5H7N2O2S- — CID 4740743

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
SMILESO=C([O-])CSC1=NCCN1
InChIInChI=1S/C5H8N2O2S/c8-4(9)3-10-5-6-1-2-7-5/h1-3H2,(H,6,7)(H,8,9)/p-1
InChIKeyMXQQZVRKFFMIKG-UHFFFAOYSA-M
MW159.19 g/mol
LogP-1.57
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate (PubChem CID 4740743) has the molecular formula C5H7N2O2S- and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
PubChem CID4740743
Molecular FormulaC5H7N2O2S-
Molecular Weight159.19 g/mol
Exact Mass159.02
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
SMILESO=C([O-])CSC1=NCCN1
InChIInChI=1S/C5H8N2O2S/c8-4(9)3-10-5-6-1-2-7-5/h1-3H2,(H,6,7)(H,8,9)/p-1
InChIKeyMXQQZVRKFFMIKG-UHFFFAOYSA-M
XLogP-1.57
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate 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

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide
CID 45132204
2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
CID 54603791
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylpropan-1-one
CID 134064563
(2R)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2-phenylacetic acid
CID 7922016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 45133479
1-(3-bromo-4-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrochloride
CID 3074640
2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 51062702
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide
CID 134064573
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 134064767
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
CID 28298
1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine
CID 71399218
2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
CID 47003003

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate (CID 4740743) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate is O=C([O-])CSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
The InChIKey is MXQQZVRKFFMIKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N2O2S/c8-4(9)3-10-5-6-1-2-7-5/h1-3H2,(H,6,7)(H,8,9)/p-1.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate has a molecular weight of 159.19 g/mol, XLogP of -1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 4740743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).