3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C19H28N4O2S — CID 71802300

IUPAC3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cnc2n(c1=O)CC(C(=O)N1CCN(C3CCCCC3)CC1)CS2
InChIInChI=1S/C19H28N4O2S/c1-14-11-20-19-23(17(14)24)12-15(13-26-19)18(25)22-9-7-21(8-10-22)16-5-3-2-4-6-16/h11,15-16H,2-10,12-13H2,1H3
InChIKeyFDAKZBFYAGHPHA-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.75
Rot. Bonds2

About 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 71802300) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID71802300
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cnc2n(c1=O)CC(C(=O)N1CCN(C3CCCCC3)CC1)CS2
InChIInChI=1S/C19H28N4O2S/c1-14-11-20-19-23(17(14)24)12-15(13-26-19)18(25)22-9-7-21(8-10-22)16-5-3-2-4-6-16/h11,15-16H,2-10,12-13H2,1H3
InChIKeyFDAKZBFYAGHPHA-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 71802300) is 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1cnc2n(c1=O)CC(C(=O)N1CCN(C3CCCCC3)CC1)CS2.
What is the InChIKey of 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is FDAKZBFYAGHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-14-11-20-19-23(17(14)24)12-15(13-26-19)18(25)22-9-7-21(8-10-22)16-5-3-2-4-6-16/h11,15-16H,2-10,12-13H2,1H3.
What are the key properties of 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 376.53 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 71802300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).