7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione

C9H10ClN3S — CID 130520524

IUPAC7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCCCn1c(=S)[nH]c2cncc(Cl)c21
InChIInChI=1S/C9H10ClN3S/c1-2-3-13-8-6(10)4-11-5-7(8)12-9(13)14/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyAKLIIPDUVTXLSI-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.16
Rot. Bonds2

About 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione

7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 130520524) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID130520524
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCCCn1c(=S)[nH]c2cncc(Cl)c21
InChIInChI=1S/C9H10ClN3S/c1-2-3-13-8-6(10)4-11-5-7(8)12-9(13)14/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyAKLIIPDUVTXLSI-UHFFFAOYSA-N
XLogP3.16
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114286106
1-propyl-1,3,5-triazinane-2,4,6-trithione
CID 175367422
4-chloro-3-[2-(1-methylpyrazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 80688561
4-chloro-3-(3-ethoxypropyl)-1H-benzimidazole-2-thione
CID 43660096
5,6-dichloro-3-octyl-1H-benzimidazole-2-thione
CID 115569109
4-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034436
4-chloro-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 80689450
5,6-dimethyl-3-propyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-4-one
CID 50928583
5-chloro-3-ethyl-4-methyl-1H-benzimidazole-2-thione
CID 130526588
4-chloro-3-(5-methylhexyl)-1H-benzimidazole-2-thione
CID 113287669
5-chloro-3-(2-ethoxyethyl)-4-methyl-1H-benzimidazole-2-thione
CID 112741014
4-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419426

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione (CID 130520524) is 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione is CCCn1c(=S)[nH]c2cncc(Cl)c21.
What is the InChIKey of 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is AKLIIPDUVTXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-2-3-13-8-6(10)4-11-5-7(8)12-9(13)14/h4-5H,2-3H2,1H3,(H,12,14).
What are the key properties of 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione?
7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 227.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 130520524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).