8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C19H29N3O2S — CID 90572692

IUPAC8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCC1CC(C)CN(C(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)C1
InChIInChI=1S/C19H29N3O2S/c1-12-6-13(2)9-21(8-12)17(24)14-10-22-16(23)7-15(19(3,4)5)20-18(22)25-11-14/h7,12-14H,6,8-11H2,1-5H3
InChIKeyDEJLILCOQOJKCM-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.77
Rot. Bonds1

About 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 90572692) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID90572692
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCC1CC(C)CN(C(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)C1
InChIInChI=1S/C19H29N3O2S/c1-12-6-13(2)9-21(8-12)17(24)14-10-22-16(23)7-15(19(3,4)5)20-18(22)25-11-14/h7,12-14H,6,8-11H2,1-5H3
InChIKeyDEJLILCOQOJKCM-UHFFFAOYSA-N
XLogP2.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 90572692) is 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CC1CC(C)CN(C(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)C1.
What is the InChIKey of 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is DEJLILCOQOJKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-12-6-13(2)9-21(8-12)17(24)14-10-22-16(23)7-15(19(3,4)5)20-18(22)25-11-14/h7,12-14H,6,8-11H2,1-5H3.
What are the key properties of 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 363.53 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 90572692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).