methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate

C16H21N3O4S — CID 51530422

IUPACmethyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)CC1
InChIInChI=1S/C16H21N3O4S/c1-10-7-14(21)19-12(9-24-16(19)17-10)8-13(20)18-5-3-11(4-6-18)15(22)23-2/h7,11-12H,3-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyQQCFHVAUKKSHBT-GFCCVEGCSA-N
MW351.43 g/mol
LogP1.00
Rot. Bonds3

About methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate

methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate (PubChem CID 51530422) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate
PubChem CID51530422
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Namemethyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)CC1
InChIInChI=1S/C16H21N3O4S/c1-10-7-14(21)19-12(9-24-16(19)17-10)8-13(20)18-5-3-11(4-6-18)15(22)23-2/h7,11-12H,3-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyQQCFHVAUKKSHBT-GFCCVEGCSA-N
XLogP1.00
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate 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 methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate (CID 51530422) is methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)CC1.
What is the InChIKey of methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is QQCFHVAUKKSHBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10-7-14(21)19-12(9-24-16(19)17-10)8-13(20)18-5-3-11(4-6-18)15(22)23-2/h7,11-12H,3-6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 51530422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).