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

C12H13N5S — CID 103008252

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCn1nccc1CCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H13N5S/c1-16-9(2-6-14-16)4-7-17-11-3-5-13-8-10(11)15-12(17)18/h2-3,5-6,8H,4,7H2,1H3,(H,15,18)
InChIKeySTVLRKWRGCVIKT-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.07
Rot. Bonds3

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

1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 103008252) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID103008252
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCn1nccc1CCn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H13N5S/c1-16-9(2-6-14-16)4-7-17-11-3-5-13-8-10(11)15-12(17)18/h2-3,5-6,8H,4,7H2,1H3,(H,15,18)
InChIKeySTVLRKWRGCVIKT-UHFFFAOYSA-N
XLogP2.07
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 103008304
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
6-chloro-5-fluoro-3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 103008272
N-[3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)propyl]methanesulfonamide
CID 114175397
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114537953
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
1-[2-(1-methylpiperidin-4-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114516207
ethyl 4-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)butanoate
CID 79296289
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
6-fluoro-3-[(2-methylpyrazol-3-yl)methyl]-1H-benzimidazole-2-thione
CID 63302657
1-(2-prop-2-ynylsulfanylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106431456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 103008252) is 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is Cn1nccc1CCn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is STVLRKWRGCVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-16-9(2-6-14-16)4-7-17-11-3-5-13-8-10(11)15-12(17)18/h2-3,5-6,8H,4,7H2,1H3,(H,15,18).
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 259.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 103008252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).