7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H20N4O2S — CID 71802377

IUPAC7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ncccc1C)CS2
InChIInChI=1S/C17H20N4O2S/c1-4-13-11(3)19-17-21(16(13)23)8-12(9-24-17)15(22)20-14-10(2)6-5-7-18-14/h5-7,12H,4,8-9H2,1-3H3,(H,18,20,22)
InChIKeySLRYZDOHJGMJAZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.18
Rot. Bonds3

About 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802377) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802377
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ncccc1C)CS2
InChIInChI=1S/C17H20N4O2S/c1-4-13-11(3)19-17-21(16(13)23)8-12(9-24-17)15(22)20-14-10(2)6-5-7-18-14/h5-7,12H,4,8-9H2,1-3H3,(H,18,20,22)
InChIKeySLRYZDOHJGMJAZ-UHFFFAOYSA-N
XLogP2.18
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802377) is 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)Nc1ncccc1C)CS2.
What is the InChIKey of 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is SLRYZDOHJGMJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-4-13-11(3)19-17-21(16(13)23)8-12(9-24-17)15(22)20-14-10(2)6-5-7-18-14/h5-7,12H,4,8-9H2,1-3H3,(H,18,20,22).
What are the key properties of 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-N-(3-methyl-2-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).