1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione

C13H17N3OS — CID 79295839

IUPAC1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2n1CCOC1CCCC1
InChIInChI=1S/C13H17N3OS/c18-13-15-11-9-14-6-5-12(11)16(13)7-8-17-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,15,18)
InChIKeyRFGCVCRMPIAUBJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione

1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79295839) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79295839
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2n1CCOC1CCCC1
InChIInChI=1S/C13H17N3OS/c18-13-15-11-9-14-6-5-12(11)16(13)7-8-17-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,15,18)
InChIKeyRFGCVCRMPIAUBJ-UHFFFAOYSA-N
XLogP3.05
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79295839) is 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2cnccc2n1CCOC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is RFGCVCRMPIAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c18-13-15-11-9-14-6-5-12(11)16(13)7-8-17-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,15,18).
What are the key properties of 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 263.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79295839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).