2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole

C13H14N6S — CID 97405323

IUPAC2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole
SMILESCn1nc(Cn2ccnc2)c2c1CN(c1nccs1)C2
InChIInChI=1S/C13H14N6S/c1-17-12-8-19(13-15-3-5-20-13)6-10(12)11(16-17)7-18-4-2-14-9-18/h2-5,9H,6-8H2,1H3
InChIKeyXGBDDMUMPWOQFG-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.64
Rot. Bonds3

About 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole

2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole (PubChem CID 97405323) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole
PubChem CID97405323
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole
SMILESCn1nc(Cn2ccnc2)c2c1CN(c1nccs1)C2
InChIInChI=1S/C13H14N6S/c1-17-12-8-19(13-15-3-5-20-13)6-10(12)11(16-17)7-18-4-2-14-9-18/h2-5,9H,6-8H2,1H3
InChIKeyXGBDDMUMPWOQFG-UHFFFAOYSA-N
XLogP1.64
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole 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 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole (CID 97405323) is 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole is Cn1nc(Cn2ccnc2)c2c1CN(c1nccs1)C2.
What is the InChIKey of 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole?
The InChIKey is XGBDDMUMPWOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-17-12-8-19(13-15-3-5-20-13)6-10(12)11(16-17)7-18-4-2-14-9-18/h2-5,9H,6-8H2,1H3.
What are the key properties of 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole?
2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole has a molecular weight of 286.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 97405323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).