6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one

C19H22N4O2S — CID 16675396

IUPAC6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one
SMILESCCN1CCCC1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O
InChIInChI=1S/C19H22N4O2S/c1-3-22-10-4-5-14(22)11-23-12-20-17-16(21-26-18(17)19(23)24)13-6-8-15(25-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3
InChIKeyBLWFFDDQAGOAAH-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.01
Rot. Bonds5

About 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one

6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 16675396) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID16675396
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one
SMILESCCN1CCCC1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O
InChIInChI=1S/C19H22N4O2S/c1-3-22-10-4-5-14(22)11-23-12-20-17-16(21-26-18(17)19(23)24)13-6-8-15(25-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3
InChIKeyBLWFFDDQAGOAAH-UHFFFAOYSA-N
XLogP3.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one (CID 16675396) is 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one is CCN1CCCC1Cn1cnc2c(-c3ccc(OC)cc3)nsc2c1=O.
What is the InChIKey of 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BLWFFDDQAGOAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-22-10-4-5-14(22)11-23-12-20-17-16(21-26-18(17)19(23)24)13-6-8-15(25-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3.
What are the key properties of 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one?
6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 370.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 16675396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).