ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate

C16H21N3O5S2 — CID 20901078

IUPACethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)CC1
InChIInChI=1S/C16H21N3O5S2/c1-4-24-15(21)12-5-7-18(8-6-12)26(22,23)13-11(3)17-16-19(14(13)20)9-10(2)25-16/h9,12H,4-8H2,1-3H3
InChIKeyLHSLWMABXGMIFP-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.34
Rot. Bonds4

About ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate

ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate (PubChem CID 20901078) has the molecular formula C16H21N3O5S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate
PubChem CID20901078
Molecular FormulaC16H21N3O5S2
Molecular Weight399.49 g/mol
Exact Mass399.09
IUPAC Nameethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)CC1
InChIInChI=1S/C16H21N3O5S2/c1-4-24-15(21)12-5-7-18(8-6-12)26(22,23)13-11(3)17-16-19(14(13)20)9-10(2)25-16/h9,12H,4-8H2,1-3H3
InChIKeyLHSLWMABXGMIFP-UHFFFAOYSA-N
XLogP1.34
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]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 ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate (CID 20901078) is ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)CC1.
What is the InChIKey of ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate?
The InChIKey is LHSLWMABXGMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S2/c1-4-24-15(21)12-5-7-18(8-6-12)26(22,23)13-11(3)17-16-19(14(13)20)9-10(2)25-16/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate?
ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 20901078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).