ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate

C19H27N3O4S — CID 97105567

IUPACethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CSc3nc(C)c(CC)c(=O)n3C2)C1
InChIInChI=1S/C19H27N3O4S/c1-4-15-12(3)20-19-22(17(15)24)10-14(11-27-19)16(23)21-8-6-7-13(9-21)18(25)26-5-2/h13-14H,4-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyOGMIDDFXHXFLEB-ZIAGYGMSSA-N
MW393.51 g/mol
LogP1.64
Rot. Bonds4

About ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate

ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 97105567) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
PubChem CID97105567
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Nameethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CSc3nc(C)c(CC)c(=O)n3C2)C1
InChIInChI=1S/C19H27N3O4S/c1-4-15-12(3)20-19-22(17(15)24)10-14(11-27-19)16(23)21-8-6-7-13(9-21)18(25)26-5-2/h13-14H,4-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyOGMIDDFXHXFLEB-ZIAGYGMSSA-N
XLogP1.64
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (3R)-1-[(3S)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
CID 97041245
7-ethyl-8-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 71802385
7-ethyl-N-methoxy-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802399
ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 94480437
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
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
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-methyl-3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90572352
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
ethyl 1-(4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carbonyl)piperidine-3-carboxylate
CID 22520784
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 81345446
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate (CID 97105567) is ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CSc3nc(C)c(CC)c(=O)n3C2)C1.
What is the InChIKey of ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is OGMIDDFXHXFLEB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-15-12(3)20-19-22(17(15)24)10-14(11-27-19)16(23)21-8-6-7-13(9-21)18(25)26-5-2/h13-14H,4-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 393.51 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 97105567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).