6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H16F2N4O2S — CID 49071085

IUPAC6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCN(CC(F)F)CC1
InChIInChI=1S/C13H16F2N4O2S/c14-10(15)8-17-1-3-18(4-2-17)11(20)9-7-16-13-19(12(9)21)5-6-22-13/h7,10H,1-6,8H2
InChIKeyOURBNIDAWMQGLK-UHFFFAOYSA-N
MW330.36 g/mol
LogP0.37
Rot. Bonds3

About 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 49071085) has the molecular formula C13H16F2N4O2S and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID49071085
Molecular FormulaC13H16F2N4O2S
Molecular Weight330.36 g/mol
Exact Mass330.10
IUPAC Name6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCN(CC(F)F)CC1
InChIInChI=1S/C13H16F2N4O2S/c14-10(15)8-17-1-3-18(4-2-17)11(20)9-7-16-13-19(12(9)21)5-6-22-13/h7,10H,1-6,8H2
InChIKeyOURBNIDAWMQGLK-UHFFFAOYSA-N
XLogP0.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 49071085) is 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCN(CC(F)F)CC1.
What is the InChIKey of 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OURBNIDAWMQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O2S/c14-10(15)8-17-1-3-18(4-2-17)11(20)9-7-16-13-19(12(9)21)5-6-22-13/h7,10H,1-6,8H2.
What are the key properties of 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 330.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 49071085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).