1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H16N6S — CID 86816078

IUPAC1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2Cc1csc(CCc2ccccc2)n1
InChIInChI=1S/C17H16N6S/c18-16-14-8-21-23(17(14)20-11-19-16)9-13-10-24-15(22-13)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2,(H2,18,19,20)
InChIKeyOHKIXLDVTPSSEK-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.70
Rot. Bonds5

About 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86816078) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86816078
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2Cc1csc(CCc2ccccc2)n1
InChIInChI=1S/C17H16N6S/c18-16-14-8-21-23(17(14)20-11-19-16)9-13-10-24-15(22-13)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2,(H2,18,19,20)
InChIKeyOHKIXLDVTPSSEK-UHFFFAOYSA-N
XLogP2.70
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine 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-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 86816078) is 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2Cc1csc(CCc2ccccc2)n1.
What is the InChIKey of 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OHKIXLDVTPSSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c18-16-14-8-21-23(17(14)20-11-19-16)9-13-10-24-15(22-13)7-6-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2,(H2,18,19,20).
What are the key properties of 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86816078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).