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

C14H21N3OS — CID 50744716

IUPAC7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C14H21N3OS/c1-2-11-12(16-7-4-3-5-8-16)15-14-17(13(11)18)9-6-10-19-14/h2-10H2,1H3
InChIKeyNHJOSDZSYVOCAK-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.29
Rot. Bonds2

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

7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 50744716) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID50744716
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C14H21N3OS/c1-2-11-12(16-7-4-3-5-8-16)15-14-17(13(11)18)9-6-10-19-14/h2-10H2,1H3
InChIKeyNHJOSDZSYVOCAK-UHFFFAOYSA-N
XLogP2.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 50744716) is 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCc1c(N2CCCCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is NHJOSDZSYVOCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-11-12(16-7-4-3-5-8-16)15-14-17(13(11)18)9-6-10-19-14/h2-10H2,1H3.
What are the key properties of 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 279.41 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 50744716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).