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

C16H16N4OS — CID 650550

IUPAC3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCCC4)ncnc23)cc1
InChIInChI=1S/C16H16N4OS/c1-21-12-6-4-11(5-7-12)13-14-15(22-19-13)16(18-10-17-14)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3
InChIKeyMBVXHTCGSYJFQJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.36
Rot. Bonds3

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

3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 650550) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID650550
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCCC4)ncnc23)cc1
InChIInChI=1S/C16H16N4OS/c1-21-12-6-4-11(5-7-12)13-14-15(22-19-13)16(18-10-17-14)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3
InChIKeyMBVXHTCGSYJFQJ-UHFFFAOYSA-N
XLogP3.36
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.36
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-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine (CID 650550) is 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine is COc1ccc(-c2nsc3c(N4CCCC4)ncnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is MBVXHTCGSYJFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-21-12-6-4-11(5-7-12)13-14-15(22-19-13)16(18-10-17-14)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine?
3-(4-methoxyphenyl)-7-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 312.40 g/mol, XLogP of 3.36, 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-pyrrolidin-1-yl-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 650550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).