N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H19N3O3S — CID 71802284

IUPACN-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C17H19N3O3S/c1-10-4-5-14(23-3)13(6-10)19-15(21)12-8-20-16(22)11(2)7-18-17(20)24-9-12/h4-7,12H,8-9H2,1-3H3,(H,19,21)
InChIKeyJOQWDAMGHODHAQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.23
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802284) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802284
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C17H19N3O3S/c1-10-4-5-14(23-3)13(6-10)19-15(21)12-8-20-16(22)11(2)7-18-17(20)24-9-12/h4-7,12H,8-9H2,1-3H3,(H,19,21)
InChIKeyJOQWDAMGHODHAQ-UHFFFAOYSA-N
XLogP2.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802284) is N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JOQWDAMGHODHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-4-5-14(23-3)13(6-10)19-15(21)12-8-20-16(22)11(2)7-18-17(20)24-9-12/h4-7,12H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).