1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide

C6H10BrN3S — CID 154868587

IUPAC1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide
SMILESBr.S=c1[nH]c2c([nH]1)CNCC2
InChIInChI=1S/C6H9N3S.BrH/c10-6-8-4-1-2-7-3-5(4)9-6;/h7H,1-3H2,(H2,8,9,10);1H
InChIKeyFARIKIRTOULAKV-UHFFFAOYSA-N
MW236.14 g/mol
LogP1.30
Rot. Bonds

About 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide

1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide (PubChem CID 154868587) has the molecular formula C6H10BrN3S and a molecular weight of 236.14 g/mol. Its IUPAC name is 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide.

Molecular Properties

Compound Name1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide
PubChem CID154868587
Molecular FormulaC6H10BrN3S
Molecular Weight236.14 g/mol
Exact Mass234.98
IUPAC Name1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide
SMILESBr.S=c1[nH]c2c([nH]1)CNCC2
InChIInChI=1S/C6H9N3S.BrH/c10-6-8-4-1-2-7-3-5(4)9-6;/h7H,1-3H2,(H2,8,9,10);1H
InChIKeyFARIKIRTOULAKV-UHFFFAOYSA-N
XLogP1.30
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68672478
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CID 118135394
CID 153580961
CID 153580961
CID 170278293
CID 170278293
CID 82391463
CID 82391463
CID 82394336
CID 82394336
CID 82394337
CID 82394337
CID 82394338
CID 82394338
CID 82398116
CID 82398116
CID 154868588
CID 154868588

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide?
The IUPAC name of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide (CID 154868587) is 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide.
What is the SMILES notation for 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide?
The canonical SMILES for 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide is Br.S=c1[nH]c2c([nH]1)CNCC2.
What is the InChIKey of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide?
The InChIKey is FARIKIRTOULAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S.BrH/c10-6-8-4-1-2-7-3-5(4)9-6;/h7H,1-3H2,(H2,8,9,10);1H.
What are the key properties of 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide?
1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide has a molecular weight of 236.14 g/mol, XLogP of 1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridine-2-thione;hydrobromide is sourced from PubChem (CID 154868587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).