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

C17H19N3O2S — CID 90572441

IUPACN-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(C(=O)C1CSc2ncc(C)c(=O)n2C1)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-3-19(14-7-5-4-6-8-14)16(22)13-10-20-15(21)12(2)9-18-17(20)23-11-13/h4-9,13H,3,10-11H2,1-2H3
InChIKeyBXSSLCJYJSRBTF-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.33
Rot. Bonds3

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

N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572441) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572441
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(C(=O)C1CSc2ncc(C)c(=O)n2C1)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-3-19(14-7-5-4-6-8-14)16(22)13-10-20-15(21)12(2)9-18-17(20)23-11-13/h4-9,13H,3,10-11H2,1-2H3
InChIKeyBXSSLCJYJSRBTF-UHFFFAOYSA-N
XLogP2.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572441) is N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCN(C(=O)C1CSc2ncc(C)c(=O)n2C1)c1ccccc1.
What is the InChIKey of N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is BXSSLCJYJSRBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-19(14-7-5-4-6-8-14)16(22)13-10-20-15(21)12(2)9-18-17(20)23-11-13/h4-9,13H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-6-oxo-N-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).