1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide

C18H19N5OS — CID 650679

IUPAC1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nsc3c(N4CCC(C(N)=O)CC4)ncnc23)cc1
InChIInChI=1S/C18H19N5OS/c1-11-2-4-12(5-3-11)14-15-16(25-22-14)18(21-10-20-15)23-8-6-13(7-9-23)17(19)24/h2-5,10,13H,6-9H2,1H3,(H2,19,24)
InChIKeyHSELHXUKEXLCIN-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.76
Rot. Bonds3

About 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide

1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 650679) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide
PubChem CID650679
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2nsc3c(N4CCC(C(N)=O)CC4)ncnc23)cc1
InChIInChI=1S/C18H19N5OS/c1-11-2-4-12(5-3-11)14-15-16(25-22-14)18(21-10-20-15)23-8-6-13(7-9-23)17(19)24/h2-5,10,13H,6-9H2,1H3,(H2,19,24)
InChIKeyHSELHXUKEXLCIN-UHFFFAOYSA-N
XLogP2.76
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide 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-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide (CID 650679) is 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide is Cc1ccc(-c2nsc3c(N4CCC(C(N)=O)CC4)ncnc23)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide?
The InChIKey is HSELHXUKEXLCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-2-4-12(5-3-11)14-15-16(25-22-14)18(21-10-20-15)23-8-6-13(7-9-23)17(19)24/h2-5,10,13H,6-9H2,1H3,(H2,19,24).
What are the key properties of 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide?
1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 650679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).