2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone

C18H21N5OS — CID 110132838

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)s1
InChIInChI=1S/C18H21N5OS/c1-12-16(25-13(2)20-12)11-18(24)22-8-4-14(5-9-22)15-6-10-23-17(21-15)3-7-19-23/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3
InChIKeyGRKFDXSECZFOFV-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone (PubChem CID 110132838) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
PubChem CID110132838
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)s1
InChIInChI=1S/C18H21N5OS/c1-12-16(25-13(2)20-12)11-18(24)22-8-4-14(5-9-22)15-6-10-23-17(21-15)3-7-19-23/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3
InChIKeyGRKFDXSECZFOFV-UHFFFAOYSA-N
XLogP2.75
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone 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-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone (CID 110132838) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone is Cc1nc(C)c(CC(=O)N2CCC(c3ccn4nccc4n3)CC2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
The InChIKey is GRKFDXSECZFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-16(25-13(2)20-12)11-18(24)22-8-4-14(5-9-22)15-6-10-23-17(21-15)3-7-19-23/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone has a molecular weight of 355.47 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110132838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).