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

C6H5N3S — CID 12610114

IUPAC1,3-dihydroimidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2ccncc2[nH]1
InChIInChI=1S/C6H5N3S/c10-6-8-4-1-2-7-3-5(4)9-6/h1-3H,(H2,8,9,10)
InChIKeySCARFFIFMQUARC-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.62
Rot. Bonds

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

1,3-dihydroimidazo[4,5-c]pyridine-2-thione (PubChem CID 12610114) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 1,3-dihydroimidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1,3-dihydroimidazo[4,5-c]pyridine-2-thione
PubChem CID12610114
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name1,3-dihydroimidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2ccncc2[nH]1
InChIInChI=1S/C6H5N3S/c10-6-8-4-1-2-7-3-5(4)9-6/h1-3H,(H2,8,9,10)
InChIKeySCARFFIFMQUARC-UHFFFAOYSA-N
XLogP1.62
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diaminopyridine
CID 5918
Urea, 1-tert-pentyl-3-(3-pyridyl)-2-thio-
CID 3042815
1H-Imidazo[4,5-b]pyridine-2-thiol
CID 729246
3H-Imidazo[4,5-c]pyridin-2-ol
CID 11686916
4-Pyridylthiourea
CID 2737249
N-3-pyridinyl-1-piperidinecarbothioamide
CID 715413
1,3-Dihydro-1-(2-(4-pyridinyl)ethyl)-2H-benzimidazole-2-thione
CID 3032601
3-Methyl-3H-imidazo[4,5-b]pyridine-2-thiol
CID 661574
1-Phenyl-3-pyridin-3-ylthiourea
CID 5200102
1-methyl-1H-imidazo(4,5-c)pyridine-2-thiol
CID 12558370
6-Chloro-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
CID 84021646
3-Pyridylthiourea
CID 2760515

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1,3-dihydroimidazo[4,5-c]pyridine-2-thione (CID 12610114) is 1,3-dihydroimidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1,3-dihydroimidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2ccncc2[nH]1.
What is the InChIKey of 1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
The InChIKey is SCARFFIFMQUARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c10-6-8-4-1-2-7-3-5(4)9-6/h1-3H,(H2,8,9,10).
What are the key properties of 1,3-dihydroimidazo[4,5-c]pyridine-2-thione?
1,3-dihydroimidazo[4,5-c]pyridine-2-thione has a molecular weight of 151.19 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 12610114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).