3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H20N4O2S — CID 16867729

IUPAC3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C14H20N4O2S/c1-2-16-5-7-17(8-6-16)13(20)9-11-10-21-14-15-4-3-12(19)18(11)14/h3-4,11H,2,5-10H2,1H3
InChIKeyNHPWKVRVRKMQGG-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.44
Rot. Bonds3

About 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867729) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867729
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C14H20N4O2S/c1-2-16-5-7-17(8-6-16)13(20)9-11-10-21-14-15-4-3-12(19)18(11)14/h3-4,11H,2,5-10H2,1H3
InChIKeyNHPWKVRVRKMQGG-UHFFFAOYSA-N
XLogP0.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867729) is 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1.
What is the InChIKey of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NHPWKVRVRKMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-16-5-7-17(8-6-16)13(20)9-11-10-21-14-15-4-3-12(19)18(11)14/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.41 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).