3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione

C11H13N5S2 — CID 79302647

IUPAC3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCc1nn(C)c2c1[nH]c(=S)n2Cc1nccs1
InChIInChI=1S/C11H13N5S2/c1-3-7-9-10(15(2)14-7)16(11(17)13-9)6-8-12-4-5-18-8/h4-5H,3,6H2,1-2H3,(H,13,17)
InChIKeyYBBPCZSGYDKSPL-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.50
Rot. Bonds3

About 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione

3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79302647) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79302647
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCc1nn(C)c2c1[nH]c(=S)n2Cc1nccs1
InChIInChI=1S/C11H13N5S2/c1-3-7-9-10(15(2)14-7)16(11(17)13-9)6-8-12-4-5-18-8/h4-5H,3,6H2,1-2H3,(H,13,17)
InChIKeyYBBPCZSGYDKSPL-UHFFFAOYSA-N
XLogP2.50
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79302647) is 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione is CCc1nn(C)c2c1[nH]c(=S)n2Cc1nccs1.
What is the InChIKey of 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is YBBPCZSGYDKSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-3-7-9-10(15(2)14-7)16(11(17)13-9)6-8-12-4-5-18-8/h4-5H,3,6H2,1-2H3,(H,13,17).
What are the key properties of 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione?
3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 279.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-(1,3-thiazol-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79302647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).