3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine

C17H18N4OS — CID 1462058

IUPAC3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCCCC4)ncnc23)cc1
InChIInChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)14-15-16(23-20-14)17(19-11-18-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3
InChIKeySIYLIPGDRPIPGJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.75
Rot. Bonds3

About 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine

3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 1462058) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID1462058
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCCCC4)ncnc23)cc1
InChIInChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)14-15-16(23-20-14)17(19-11-18-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3
InChIKeySIYLIPGDRPIPGJ-UHFFFAOYSA-N
XLogP3.75
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine (CID 1462058) is 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine is COc1ccc(-c2nsc3c(N4CCCCC4)ncnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is SIYLIPGDRPIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)14-15-16(23-20-14)17(19-11-18-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 326.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-piperidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 1462058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).