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

C19H23N3O2S — CID 90573134

IUPAC7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CSc3nc(C)c(CC)c(=O)n3C2)cc1
InChIInChI=1S/C19H23N3O2S/c1-4-13-6-8-15(9-7-13)21-17(23)14-10-22-18(24)16(5-2)12(3)20-19(22)25-11-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyYDRFKKBCJUAQRE-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.04
Rot. Bonds4

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

7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573134) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573134
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CSc3nc(C)c(CC)c(=O)n3C2)cc1
InChIInChI=1S/C19H23N3O2S/c1-4-13-6-8-15(9-7-13)21-17(23)14-10-22-18(24)16(5-2)12(3)20-19(22)25-11-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyYDRFKKBCJUAQRE-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-8-methyl-6-oxo-N-pyridin-4-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573222
7-ethyl-8-methyl-N-(4-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572993
N-(3-chloro-4-fluorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573188
N-(3-chlorophenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573140
N-(2,4-dimethoxyphenyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573196
7-ethyl-8-methyl-N-(2-methyl-4-nitrophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573207
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573287
7-ethyl-8-methyl-6-oxo-N-(2-oxochromen-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802353
N-(2,2-dimethoxyethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573079
7-ethyl-N-methoxy-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802399
(3S)-N-(1H-benzimidazol-2-ylmethyl)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105551
7-ethyl-N-(2-hydroxyethyl)-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573011

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573134) is 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1ccc(NC(=O)C2CSc3nc(C)c(CC)c(=O)n3C2)cc1.
What is the InChIKey of 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is YDRFKKBCJUAQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-13-6-8-15(9-7-13)21-17(23)14-10-22-18(24)16(5-2)12(3)20-19(22)25-11-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(4-ethylphenyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).