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

C15H20N4O5S2 — CID 24789790

IUPACethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)CC1
InChIInChI=1S/C15H20N4O5S2/c1-4-24-15(21)17-5-7-18(8-6-17)26(22,23)12-11(3)16-14-19(13(12)20)10(2)9-25-14/h9H,4-8H2,1-3H3
InChIKeyHJJOGIXSRFOXEH-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.84
Rot. Bonds3

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

ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate (PubChem CID 24789790) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
PubChem CID24789790
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC Nameethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)CC1
InChIInChI=1S/C15H20N4O5S2/c1-4-24-15(21)17-5-7-18(8-6-17)26(22,23)12-11(3)16-14-19(13(12)20)10(2)9-25-14/h9H,4-8H2,1-3H3
InChIKeyHJJOGIXSRFOXEH-UHFFFAOYSA-N
XLogP0.84
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate (CID 24789790) is ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)CC1.
What is the InChIKey of ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
The InChIKey is HJJOGIXSRFOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c1-4-24-15(21)17-5-7-18(8-6-17)26(22,23)12-11(3)16-14-19(13(12)20)10(2)9-25-14/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate?
ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 24789790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).