ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate

C15H20N4O4S — CID 3864482

IUPACethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C15H20N4O4S/c1-2-23-15(22)18-5-3-10(4-6-18)17-12(20)11-9-16-14-19(13(11)21)7-8-24-14/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyVUJYKYFIHXDEBH-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.70
Rot. Bonds3

About ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 3864482) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID3864482
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Nameethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C15H20N4O4S/c1-2-23-15(22)18-5-3-10(4-6-18)17-12(20)11-9-16-14-19(13(11)21)7-8-24-14/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyVUJYKYFIHXDEBH-UHFFFAOYSA-N
XLogP0.70
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate (CID 3864482) is ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1.
What is the InChIKey of ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is VUJYKYFIHXDEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-2-23-15(22)18-5-3-10(4-6-18)17-12(20)11-9-16-14-19(13(11)21)7-8-24-14/h9-10H,2-8H2,1H3,(H,17,20).
What are the key properties of ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 352.42 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3864482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).