1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione

C10H8N4S2 — CID 79296186

IUPAC1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2n1Cc1nccs1
InChIInChI=1S/C10H8N4S2/c15-10-13-7-5-11-2-1-8(7)14(10)6-9-12-3-4-16-9/h1-5H,6H2,(H,13,15)
InChIKeyFIOMBRLDYUNJQE-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.60
Rot. Bonds2

About 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione

1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296186) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296186
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2n1Cc1nccs1
InChIInChI=1S/C10H8N4S2/c15-10-13-7-5-11-2-1-8(7)14(10)6-9-12-3-4-16-9/h1-5H,6H2,(H,13,15)
InChIKeyFIOMBRLDYUNJQE-UHFFFAOYSA-N
XLogP2.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.60
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

1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296475
1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296374
7-chloro-3-(1,3-thiazol-2-ylmethyl)-1H-benzimidazole-2-thione
CID 104836355
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79270338
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79292483
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155
1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295922
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
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-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296186) is 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2cnccc2n1Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is FIOMBRLDYUNJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c15-10-13-7-5-11-2-1-8(7)14(10)6-9-12-3-4-16-9/h1-5H,6H2,(H,13,15).
What are the key properties of 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 248.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).