1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol

C27H33N3OS — CID 3040542

IUPAC1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol
SMILESOC1(c2ccc3c(c2)CCCC3)CSC2=NCC3(CCN(Cc4ccccc4)CC3)CN21
InChIInChI=1S/C27H33N3OS/c31-27(24-11-10-22-8-4-5-9-23(22)16-24)20-32-25-28-18-26(19-30(25)27)12-14-29(15-13-26)17-21-6-2-1-3-7-21/h1-3,6-7,10-11,16,31H,4-5,8-9,12-15,17-20H2
InChIKeyLLVYFTOTALOPMD-UHFFFAOYSA-N
MW447.65 g/mol
LogP4.41
Rot. Bonds3

About 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol

1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol (PubChem CID 3040542) has the molecular formula C27H33N3OS and a molecular weight of 447.65 g/mol. Its IUPAC name is 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol.

Molecular Properties

Compound Name1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol
PubChem CID3040542
Molecular FormulaC27H33N3OS
Molecular Weight447.65 g/mol
Exact Mass447.23
IUPAC Name1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol
SMILESOC1(c2ccc3c(c2)CCCC3)CSC2=NCC3(CCN(Cc4ccccc4)CC3)CN21
InChIInChI=1S/C27H33N3OS/c31-27(24-11-10-22-8-4-5-9-23(22)16-24)20-32-25-28-18-26(19-30(25)27)12-14-29(15-13-26)17-21-6-2-1-3-7-21/h1-3,6-7,10-11,16,31H,4-5,8-9,12-15,17-20H2
InChIKeyLLVYFTOTALOPMD-UHFFFAOYSA-N
XLogP4.41
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol with MolForge

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Related Compounds

1'-benzyl-3-(3,4-dichlorophenyl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol;dihydrobromide
CID 3040539
1'-benzyl-3-naphthalen-2-ylspiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol
CID 3040536
3-phenyl-5,6,7,8-tetrahydro-2H-[1,3]thiazolo[3,2-a][1,3]diazepin-3-ol
CID 5153296
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol?
The IUPAC name of 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol (CID 3040542) is 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol.
What is the SMILES notation for 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol?
The canonical SMILES for 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol is OC1(c2ccc3c(c2)CCCC3)CSC2=NCC3(CCN(Cc4ccccc4)CC3)CN21.
What is the InChIKey of 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol?
The InChIKey is LLVYFTOTALOPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3OS/c31-27(24-11-10-22-8-4-5-9-23(22)16-24)20-32-25-28-18-26(19-30(25)27)12-14-29(15-13-26)17-21-6-2-1-3-7-21/h1-3,6-7,10-11,16,31H,4-5,8-9,12-15,17-20H2.
What are the key properties of 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol?
1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol has a molecular weight of 447.65 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)spiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol is sourced from PubChem (CID 3040542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).