2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol

C10H12N2OS — CID 116879359

IUPAC2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol
SMILESCc1ccc(-c2cnc(CCS)[nH]2)o1
InChIInChI=1S/C10H12N2OS/c1-7-2-3-9(13-7)8-6-11-10(12-8)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,11,12)
InChIKeyAVVAHKJMMDTWJA-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.45
Rot. Bonds3

About 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol

2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol (PubChem CID 116879359) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol
PubChem CID116879359
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol
SMILESCc1ccc(-c2cnc(CCS)[nH]2)o1
InChIInChI=1S/C10H12N2OS/c1-7-2-3-9(13-7)8-6-11-10(12-8)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,11,12)
InChIKeyAVVAHKJMMDTWJA-UHFFFAOYSA-N
XLogP2.45
TPSA41.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol 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

N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 54925298
5-methyl-2-[2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251780
2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]propan-2-ol
CID 116881432
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879349
2-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879331
N,N-diethyl-5-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]furan-2-amine
CID 118521446
2-[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879336
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
CID 116879370
5-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116879346
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
3-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882582
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
CID 116879281

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol (CID 116879359) is 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol is Cc1ccc(-c2cnc(CCS)[nH]2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol?
The InChIKey is AVVAHKJMMDTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-2-3-9(13-7)8-6-11-10(12-8)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol?
2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol has a molecular weight of 208.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]ethanethiol is sourced from PubChem (CID 116879359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).