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

C14H18N4O4S — CID 3244348

IUPACethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C14H18N4O4S/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/h9H,2-8H2,1H3
InChIKeyLDZNOIXAKSDWID-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.26
Rot. Bonds2

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

ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate (PubChem CID 3244348) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
PubChem CID3244348
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Nameethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1
InChIInChI=1S/C14H18N4O4S/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/h9H,2-8H2,1H3
InChIKeyLDZNOIXAKSDWID-UHFFFAOYSA-N
XLogP0.26
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate (CID 3244348) is ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=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)piperazine-1-carboxylate?
The InChIKey is LDZNOIXAKSDWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/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/h9H,2-8H2,1H3.
What are the key properties of ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 0.26, 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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 3244348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).