[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C16H22N6OS — CID 72857580

IUPAC[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1nn(C)c2nc(N3CCC(C(O)c4nccn4C)CC3)sc12
InChIInChI=1S/C16H22N6OS/c1-10-13-15(21(3)19-10)18-16(24-13)22-7-4-11(5-8-22)12(23)14-17-6-9-20(14)2/h6,9,11-12,23H,4-5,7-8H2,1-3H3
InChIKeyMEBWZFFVXLCUMP-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.02
Rot. Bonds3

About [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 72857580) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID72857580
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCc1nn(C)c2nc(N3CCC(C(O)c4nccn4C)CC3)sc12
InChIInChI=1S/C16H22N6OS/c1-10-13-15(21(3)19-10)18-16(24-13)22-7-4-11(5-8-22)12(23)14-17-6-9-20(14)2/h6,9,11-12,23H,4-5,7-8H2,1-3H3
InChIKeyMEBWZFFVXLCUMP-UHFFFAOYSA-N
XLogP2.02
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol 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 [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 72857580) is [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cc1nn(C)c2nc(N3CCC(C(O)c4nccn4C)CC3)sc12.
What is the InChIKey of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is MEBWZFFVXLCUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-10-13-15(21(3)19-10)18-16(24-13)22-7-4-11(5-8-22)12(23)14-17-6-9-20(14)2/h6,9,11-12,23H,4-5,7-8H2,1-3H3.
What are the key properties of [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 346.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 72857580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).