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

C15H23N3O2S — CID 90573061

IUPAC7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)NCC(C)C)CS2
InChIInChI=1S/C15H23N3O2S/c1-5-12-10(4)17-15-18(14(12)20)7-11(8-21-15)13(19)16-6-9(2)3/h9,11H,5-8H2,1-4H3,(H,16,19)
InChIKeyJVLGOLSNKWDHPC-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.61
Rot. Bonds4

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

7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573061) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573061
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)NCC(C)C)CS2
InChIInChI=1S/C15H23N3O2S/c1-5-12-10(4)17-15-18(14(12)20)7-11(8-21-15)13(19)16-6-9(2)3/h9,11H,5-8H2,1-4H3,(H,16,19)
InChIKeyJVLGOLSNKWDHPC-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-8-methyl-N-(2-methylpropyl)-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-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573061) is 7-ethyl-8-methyl-N-(2-methylpropyl)-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-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)NCC(C)C)CS2.
What is the InChIKey of 7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JVLGOLSNKWDHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-5-12-10(4)17-15-18(14(12)20)7-11(8-21-15)13(19)16-6-9(2)3/h9,11H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-N-(2-methylpropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).