3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide

C21H25BrN2O2S — CID 3070366

IUPAC3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
SMILESBr.COc1ccc(C2(O)C(CCc3ccccc3)SC3=NCCCN32)cc1
InChIInChI=1S/C21H24N2O2S.BrH/c1-25-18-11-9-17(10-12-18)21(24)19(13-8-16-6-3-2-4-7-16)26-20-22-14-5-15-23(20)21;/h2-4,6-7,9-12,19,24H,5,8,13-15H2,1H3;1H
InChIKeyCJTVPHZOYNPYJQ-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.23
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide

3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide (PubChem CID 3070366) has the molecular formula C21H25BrN2O2S and a molecular weight of 449.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
PubChem CID3070366
Molecular FormulaC21H25BrN2O2S
Molecular Weight449.41 g/mol
Exact Mass448.08
IUPAC Name3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
SMILESBr.COc1ccc(C2(O)C(CCc3ccccc3)SC3=NCCCN32)cc1
InChIInChI=1S/C21H24N2O2S.BrH/c1-25-18-11-9-17(10-12-18)21(24)19(13-8-16-6-3-2-4-7-16)26-20-22-14-5-15-23(20)21;/h2-4,6-7,9-12,19,24H,5,8,13-15H2,1H3;1H
InChIKeyCJTVPHZOYNPYJQ-UHFFFAOYSA-N
XLogP4.23
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide 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 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide (CID 3070366) is 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide is Br.COc1ccc(C2(O)C(CCc3ccccc3)SC3=NCCCN32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
The InChIKey is CJTVPHZOYNPYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S.BrH/c1-25-18-11-9-17(10-12-18)21(24)19(13-8-16-6-3-2-4-7-16)26-20-22-14-5-15-23(20)21;/h2-4,6-7,9-12,19,24H,5,8,13-15H2,1H3;1H.
What are the key properties of 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide?
3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide has a molecular weight of 449.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide is sourced from PubChem (CID 3070366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).