7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C19H23N3OS — CID 4905027

IUPAC7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2)c(N2CCCCC2)nc2n1CCCS2
InChIInChI=1S/C19H23N3OS/c23-18-16(14-15-8-3-1-4-9-15)17(21-10-5-2-6-11-21)20-19-22(18)12-7-13-24-19/h1,3-4,8-9H,2,5-7,10-14H2
InChIKeyNETFPVMNLRWQEQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.32
Rot. Bonds3

About 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4905027) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4905027
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2)c(N2CCCCC2)nc2n1CCCS2
InChIInChI=1S/C19H23N3OS/c23-18-16(14-15-8-3-1-4-9-15)17(21-10-5-2-6-11-21)20-19-22(18)12-7-13-24-19/h1,3-4,8-9H,2,5-7,10-14H2
InChIKeyNETFPVMNLRWQEQ-UHFFFAOYSA-N
XLogP3.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,6-dimethyl-5,6,10,11-tetrahydro-7H,9H-benzo[h][1,3]thiazino[2,3-b]quinazolin-7-one
CID 760966
7,7'-((4-fluorophenyl)methylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135450330
7-benzyl-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135439007
6-amino-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-4-one
CID 135414693
7,7'-(phenylmethylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135427821
4(5H)-Thiazolone, 5-phenyl-2-(1-piperidinyl)-
CID 3039606
2-(p-fluorophenyl)-1-thia-4a,8-diaza-6,7-dihydro-2H,5H-naphthalen-4(3H)-one
CID 16644143
2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 135431424
8-hydroxy-7-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135449556
2-[(5-benzyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 780371
10,11-dihydro-5H-spiro[benzo[h][1,3]thiazino[2,3-b]quinazoline-6,1'-cyclopentan]-7(9H)-one
CID 793328
Cambridge id 5373381
CID 1073969

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4905027) is 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(Cc2ccccc2)c(N2CCCCC2)nc2n1CCCS2.
What is the InChIKey of 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is NETFPVMNLRWQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18-16(14-15-8-3-1-4-9-15)17(21-10-5-2-6-11-21)20-19-22(18)12-7-13-24-19/h1,3-4,8-9H,2,5-7,10-14H2.
What are the key properties of 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 341.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4905027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).