3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol

C20H22N2OS — CID 3070352

IUPAC3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol
SMILESOC1(c2ccccc2)C(CCc2ccccc2)SC2=NCCCN21
InChIInChI=1S/C20H22N2OS/c23-20(17-10-5-2-6-11-17)18(13-12-16-8-3-1-4-9-16)24-19-21-14-7-15-22(19)20/h1-6,8-11,18,23H,7,12-15H2
InChIKeySEWXAQRQJXCXSH-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.64
Rot. Bonds4

About 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol

3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol (PubChem CID 3070352) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol.

Molecular Properties

Compound Name3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol
PubChem CID3070352
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol
SMILESOC1(c2ccccc2)C(CCc2ccccc2)SC2=NCCCN21
InChIInChI=1S/C20H22N2OS/c23-20(17-10-5-2-6-11-17)18(13-12-16-8-3-1-4-9-16)24-19-21-14-7-15-22(19)20/h1-6,8-11,18,23H,7,12-15H2
InChIKeySEWXAQRQJXCXSH-UHFFFAOYSA-N
XLogP3.64
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol?
The IUPAC name of 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol (CID 3070352) is 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol.
What is the SMILES notation for 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol?
The canonical SMILES for 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol is OC1(c2ccccc2)C(CCc2ccccc2)SC2=NCCCN21.
What is the InChIKey of 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol?
The InChIKey is SEWXAQRQJXCXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-20(17-10-5-2-6-11-17)18(13-12-16-8-3-1-4-9-16)24-19-21-14-7-15-22(19)20/h1-6,8-11,18,23H,7,12-15H2.
What are the key properties of 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol?
3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol has a molecular weight of 338.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol is sourced from PubChem (CID 3070352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).