6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H19N3O2S — CID 90573555

IUPAC6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CSc3nccc(=O)n3C2)c(C)c1
InChIInChI=1S/C17H19N3O2S/c1-10-6-11(2)15(12(3)7-10)19-16(22)13-8-20-14(21)4-5-18-17(20)23-9-13/h4-7,13H,8-9H2,1-3H3,(H,19,22)
InChIKeyACFBJFUDKZGSSD-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.53
Rot. Bonds2

About 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573555) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573555
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CSc3nccc(=O)n3C2)c(C)c1
InChIInChI=1S/C17H19N3O2S/c1-10-6-11(2)15(12(3)7-10)19-16(22)13-8-20-14(21)4-5-18-17(20)23-9-13/h4-7,13H,8-9H2,1-3H3,(H,19,22)
InChIKeyACFBJFUDKZGSSD-UHFFFAOYSA-N
XLogP2.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573570
6-oxo-N-pyridin-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573560
6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573614
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573539
N-(2,3-dichlorophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573523
6-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573648
N-(3,5-dimethylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572518
(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105653
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573582
N-(3-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573405
6-oxo-N-(2-phenoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573599
6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573672

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573555) is 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CSc3nccc(=O)n3C2)c(C)c1.
What is the InChIKey of 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ACFBJFUDKZGSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10-6-11(2)15(12(3)7-10)19-16(22)13-8-20-14(21)4-5-18-17(20)23-9-13/h4-7,13H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).