6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H19N3O5S — CID 90573614

IUPAC6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CSc3nccc(=O)n3C2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O5S/c1-23-12-6-11(7-13(24-2)15(12)25-3)19-16(22)10-8-20-14(21)4-5-18-17(20)26-9-10/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyIMBYYHJAVDBPGM-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.63
Rot. Bonds5

About 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573614) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573614
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CSc3nccc(=O)n3C2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O5S/c1-23-12-6-11(7-13(24-2)15(12)25-3)19-16(22)10-8-20-14(21)4-5-18-17(20)26-9-10/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyIMBYYHJAVDBPGM-UHFFFAOYSA-N
XLogP1.63
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573555
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
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573663
6-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573648
N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572537
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
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-(2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572476
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802412
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55624339

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573614) is 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COc1cc(NC(=O)C2CSc3nccc(=O)n3C2)cc(OC)c1OC.
What is the InChIKey of 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is IMBYYHJAVDBPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-23-12-6-11(7-13(24-2)15(12)25-3)19-16(22)10-8-20-14(21)4-5-18-17(20)26-9-10/h4-7,10H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).