ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate

C15H20N4O3S — CID 51167959

IUPACethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C15H20N4O3S/c1-3-22-15(21)18-6-4-17(5-7-18)9-12-8-13(20)19-11(2)10-23-14(19)16-12/h8,10H,3-7,9H2,1-2H3
InChIKeyAZVHWZCWBUVMAG-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.34
Rot. Bonds3

About ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate

ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate (PubChem CID 51167959) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
PubChem CID51167959
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Nameethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C15H20N4O3S/c1-3-22-15(21)18-6-4-17(5-7-18)9-12-8-13(20)19-11(2)10-23-14(19)16-12/h8,10H,3-7,9H2,1-2H3
InChIKeyAZVHWZCWBUVMAG-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate (CID 51167959) is ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1.
What is the InChIKey of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
The InChIKey is AZVHWZCWBUVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-22-15(21)18-6-4-17(5-7-18)9-12-8-13(20)19-11(2)10-23-14(19)16-12/h8,10H,3-7,9H2,1-2H3.
What are the key properties of ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate?
ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate has a molecular weight of 336.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 51167959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).