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

C18H21N3O2S — CID 4974237

IUPAC7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2)c(N2CCOCC2)nc2n1CCCS2
InChIInChI=1S/C18H21N3O2S/c22-17-15(13-14-5-2-1-3-6-14)16(20-8-10-23-11-9-20)19-18-21(17)7-4-12-24-18/h1-3,5-6H,4,7-13H2
InChIKeyQUXUYBFKRLWROV-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.17
Rot. Bonds3

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

7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4974237) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4974237
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2)c(N2CCOCC2)nc2n1CCCS2
InChIInChI=1S/C18H21N3O2S/c22-17-15(13-14-5-2-1-3-6-14)16(20-8-10-23-11-9-20)19-18-21(17)7-4-12-24-18/h1-3,5-6H,4,7-13H2
InChIKeyQUXUYBFKRLWROV-UHFFFAOYSA-N
XLogP2.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-phenyl-1H-pyrimidin-6-one
CID 574865
5-benzyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 1073970
3-allyl-5-benzyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4(3H)-pyrimidinone
CID 135447207
6-amino-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-5-phenylpyrimidin-4(1H)-one
CID 135414683
6-hydroxy-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-5-phenylpyrimidin-4(3H)-one
CID 1073973
7-benzyl-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135439007
5-(Diphenylmethyl)-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethylthio)-3-hydropyrimi din-4-one
CID 3149885
7-benzyl-8-(piperidin-1-yl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4905027
7-benzyl-8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4911093
5-(2-fluorobenzyl)-6-hydroxy-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 1073993
5-Benzyl-2-morpholin-4-yl-1,3-thiazol-4-one
CID 4122035
2-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-[(4-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4-one
CID 42738032

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4974237) is 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(Cc2ccccc2)c(N2CCOCC2)nc2n1CCCS2.
What is the InChIKey of 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is QUXUYBFKRLWROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17-15(13-14-5-2-1-3-6-14)16(20-8-10-23-11-9-20)19-18-21(17)7-4-12-24-18/h1-3,5-6H,4,7-13H2.
What are the key properties of 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 343.45 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4974237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).