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

C16H25N3OS — CID 53298898

IUPAC7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H25N3OS/c1-2-3-8-13-14(18-9-5-4-6-10-18)17-16-19(15(13)20)11-7-12-21-16/h2-12H2,1H3
InChIKeyJWSRSDSOHHALIP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.07
Rot. Bonds4

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

7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 53298898) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID53298898
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C16H25N3OS/c1-2-3-8-13-14(18-9-5-4-6-10-18)17-16-19(15(13)20)11-7-12-21-16/h2-12H2,1H3
InChIKeyJWSRSDSOHHALIP-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

7-ethyl-8-piperidino-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 50744716
7-butyl-8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135481903
8-(dimethylamino)-7-ethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 53298897
8-Hydroxy-7-pentyl-2H,3H,4H,6H-pyrimido[2,1-B][1,3]thiazin-6-one
CID 135584595
8-(morpholin-4-yl)-7-octyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1906883
8-morpholin-4-yl-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4900413
8-(diethylamino)-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4906761
7-pentyl-8-pyrrolidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4911889
6-Pentyl-7-piperidin-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4974141
7-pentyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4974916
7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 4975036
8-(diethylamino)-7-ethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 20100536

Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 53298898) is 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCc1c(N2CCCCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is JWSRSDSOHHALIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-3-8-13-14(18-9-5-4-6-10-18)17-16-19(15(13)20)11-7-12-21-16/h2-12H2,1H3.
What are the key properties of 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 307.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-piperidin-1-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 53298898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).