6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione

C6H4ClN3S — CID 90041681

IUPAC6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnc(Cl)cc2[nH]1
InChIInChI=1S/C6H4ClN3S/c7-5-1-3-4(2-8-5)10-6(11)9-3/h1-2H,(H2,9,10,11)
InChIKeyPCAIHEUQIRUEOF-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.27
Rot. Bonds

About 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione

6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione (PubChem CID 90041681) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione
PubChem CID90041681
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnc(Cl)cc2[nH]1
InChIInChI=1S/C6H4ClN3S/c7-5-1-3-4(2-8-5)10-6(11)9-3/h1-2H,(H2,9,10,11)
InChIKeyPCAIHEUQIRUEOF-UHFFFAOYSA-N
XLogP2.27
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione (CID 90041681) is 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2cnc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
The InChIKey is PCAIHEUQIRUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c7-5-1-3-4(2-8-5)10-6(11)9-3/h1-2H,(H2,9,10,11).
What are the key properties of 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione has a molecular weight of 185.64 g/mol, XLogP of 2.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dihydroimidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 90041681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).