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

C17H25N3O2S — CID 171982133

IUPAC7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C2CCCCC2)c(N2CCOCC2)nc2n1CCCS2
InChIInChI=1S/C17H25N3O2S/c21-16-14(13-5-2-1-3-6-13)15(19-8-10-22-11-9-19)18-17-20(16)7-4-12-23-17/h13H,1-12H2
InChIKeyDLFSQMWJXYATMD-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.62
Rot. Bonds2

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

7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 171982133) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID171982133
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C2CCCCC2)c(N2CCOCC2)nc2n1CCCS2
InChIInChI=1S/C17H25N3O2S/c21-16-14(13-5-2-1-3-6-13)15(19-8-10-22-11-9-19)18-17-20(16)7-4-12-23-17/h13H,1-12H2
InChIKeyDLFSQMWJXYATMD-UHFFFAOYSA-N
XLogP2.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 171982133) is 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C2CCCCC2)c(N2CCOCC2)nc2n1CCCS2.
What is the InChIKey of 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is DLFSQMWJXYATMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16-14(13-5-2-1-3-6-13)15(19-8-10-22-11-9-19)18-17-20(16)7-4-12-23-17/h13H,1-12H2.
What are the key properties of 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 335.47 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-8-morpholin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 171982133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).