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

C14H19N5S2 — CID 79283363

IUPAC6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCn1nc(C)c2[nH]c(=S)n(C(C)c3sc(C)nc3C)c21
InChIInChI=1S/C14H19N5S2/c1-6-18-13-11(7(2)17-18)16-14(20)19(13)9(4)12-8(3)15-10(5)21-12/h9H,6H2,1-5H3,(H,16,20)
InChIKeySQPDMJLMWIBEDM-UHFFFAOYSA-N
MW321.48 g/mol
LogP3.91
Rot. Bonds3

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

6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79283363) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79283363
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC Name6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCCn1nc(C)c2[nH]c(=S)n(C(C)c3sc(C)nc3C)c21
InChIInChI=1S/C14H19N5S2/c1-6-18-13-11(7(2)17-18)16-14(20)19(13)9(4)12-8(3)15-10(5)21-12/h9H,6H2,1-5H3,(H,16,20)
InChIKeySQPDMJLMWIBEDM-UHFFFAOYSA-N
XLogP3.91
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-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

Related Compounds

6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297819
1-ethyl-6-[1-(4-fluorophenyl)ethyl]-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79284503
1-ethyl-3-methyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304844
1-ethyl-3-methyl-6-(1-methylsulfanylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 113472882
1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79305882
1-ethyl-6-[1-(furan-2-yl)ethyl]-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304912
2-(1-ethyl-3-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79305253
1-ethyl-3-methyl-6-(1-morpholin-4-ylpropan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79283129
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138510
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoro-1H-benzimidazole-2-thione
CID 62378549
1-ethyl-3-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106034360
1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106290400

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79283363) is 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione is CCn1nc(C)c2[nH]c(=S)n(C(C)c3sc(C)nc3C)c21.
What is the InChIKey of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is SQPDMJLMWIBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-6-18-13-11(7(2)17-18)16-14(20)19(13)9(4)12-8(3)15-10(5)21-12/h9H,6H2,1-5H3,(H,16,20).
What are the key properties of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione?
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 321.48 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79283363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).