2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol

C15H18N2S — CID 116879281

IUPAC2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
SMILESSCCc1ncc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C15H18N2S/c18-8-7-15-16-10-14(17-15)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10,18H,1-4,7-8H2,(H,16,17)
InChIKeyLNJYGSNMQNNNHE-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.43
Rot. Bonds3

About 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol

2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol (PubChem CID 116879281) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol.

Molecular Properties

Compound Name2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
PubChem CID116879281
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
SMILESSCCc1ncc(-c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C15H18N2S/c18-8-7-15-16-10-14(17-15)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10,18H,1-4,7-8H2,(H,16,17)
InChIKeyLNJYGSNMQNNNHE-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5-(5,6,7,8-tetrahydronaphthalen-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol?
The IUPAC name of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol (CID 116879281) is 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol.
What is the SMILES notation for 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol?
The canonical SMILES for 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol is SCCc1ncc(-c2ccc3c(c2)CCCC3)[nH]1.
What is the InChIKey of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol?
The InChIKey is LNJYGSNMQNNNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c18-8-7-15-16-10-14(17-15)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10,18H,1-4,7-8H2,(H,16,17).
What are the key properties of 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol?
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol has a molecular weight of 258.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol is sourced from PubChem (CID 116879281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).