8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C16H19N3O2S — CID 97098200

IUPAC8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@@H]1SCCN1C(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C16H19N3O2S/c1-3-4-14-19(7-8-22-14)16(21)12-10-17-13-9-11(2)5-6-18(13)15(12)20/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m0/s1
InChIKeyNCURLOGEHDOYMU-AWEZNQCLSA-N
MW317.41 g/mol
LogP2.32
Rot. Bonds3

About 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one

8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 97098200) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID97098200
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC[C@@H]1SCCN1C(=O)c1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C16H19N3O2S/c1-3-4-14-19(7-8-22-14)16(21)12-10-17-13-9-11(2)5-6-18(13)15(12)20/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m0/s1
InChIKeyNCURLOGEHDOYMU-AWEZNQCLSA-N
XLogP2.32
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
ethyl (2R)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylate
CID 124627692
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007914
3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007915
8-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119649095
4-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239079
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 120660168
(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119113428
1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one
CID 122140875
8-methyl-4-oxo-N-piperidin-4-yl-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119823486
(3-hydroxy-2-pyridinyl)-(2-propyl-1,3-thiazolidin-3-yl)methanone
CID 86792334
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60574412

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 97098200) is 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CCC[C@@H]1SCCN1C(=O)c1cnc2cc(C)ccn2c1=O.
What is the InChIKey of 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NCURLOGEHDOYMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-4-14-19(7-8-22-14)16(21)12-10-17-13-9-11(2)5-6-18(13)15(12)20/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m0/s1.
What are the key properties of 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 317.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97098200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).