4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole

C17H21N5S — CID 155986862

IUPAC4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc2nccc(C3CCN(Cc4scnc4C)CC3)n2n1
InChIInChI=1S/C17H21N5S/c1-12-9-17-18-6-3-15(22(17)20-12)14-4-7-21(8-5-14)10-16-13(2)19-11-23-16/h3,6,9,11,14H,4-5,7-8,10H2,1-2H3
InChIKeyYYZJUKDLRQJSPB-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.18
Rot. Bonds3

About 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 155986862) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID155986862
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc2nccc(C3CCN(Cc4scnc4C)CC3)n2n1
InChIInChI=1S/C17H21N5S/c1-12-9-17-18-6-3-15(22(17)20-12)14-4-7-21(8-5-14)10-16-13(2)19-11-23-16/h3,6,9,11,14H,4-5,7-8,10H2,1-2H3
InChIKeyYYZJUKDLRQJSPB-UHFFFAOYSA-N
XLogP3.18
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-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 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 155986862) is 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc2nccc(C3CCN(Cc4scnc4C)CC3)n2n1.
What is the InChIKey of 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is YYZJUKDLRQJSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-12-9-17-18-6-3-15(22(17)20-12)14-4-7-21(8-5-14)10-16-13(2)19-11-23-16/h3,6,9,11,14H,4-5,7-8,10H2,1-2H3.
What are the key properties of 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 327.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155986862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).