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

C14H16N4O4S — CID 4105003

IUPACethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H16N4O4S/c1-2-22-14(21)17-5-3-16(4-6-17)11(19)10-9-15-13-18(12(10)20)7-8-23-13/h7-9H,2-6H2,1H3
InChIKeyBGXQFFYDDIRPDU-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.67
Rot. Bonds2

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

ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate (PubChem CID 4105003) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
PubChem CID4105003
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Nameethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H16N4O4S/c1-2-22-14(21)17-5-3-16(4-6-17)11(19)10-9-15-13-18(12(10)20)7-8-23-13/h7-9H,2-6H2,1H3
InChIKeyBGXQFFYDDIRPDU-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 3244348
6-(4-Ethylpiperazine-1-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17248300
N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363946
6-(4-Methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293964
ethyl 4-(3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 4386871
3-Methyl-6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4424550
6-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43415633
N-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363941
6-[4-(2-Methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46582460
Methyl 2-methyl-3-[methyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
CID 47981162
6-(4-Propylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51657729
6-(4-Propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56811669

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate (CID 4105003) is ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The InChIKey is BGXQFFYDDIRPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-2-22-14(21)17-5-3-16(4-6-17)11(19)10-9-15-13-18(12(10)20)7-8-23-13/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 4105003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).