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

C13H13F3N4O2S — CID 51305845

IUPAC6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)8-18-1-3-19(4-2-18)10(21)9-7-17-12-20(11(9)22)5-6-23-12/h5-7H,1-4,8H2
InChIKeyQDHCTQUTHBYPLQ-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.08
Rot. Bonds2

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

6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51305845) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51305845
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)8-18-1-3-19(4-2-18)10(21)9-7-17-12-20(11(9)22)5-6-23-12/h5-7H,1-4,8H2
InChIKeyQDHCTQUTHBYPLQ-UHFFFAOYSA-N
XLogP1.08
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Oxo-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17563875
5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18105678
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45823634
6-[4-(2,2-Difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 49071085
N-(3-amino-2,2-difluoropropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120411946
N-(3-amino-2,2-difluoropropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120411947
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120811672
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120811673
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
N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47473349
6-(Piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591996

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51305845) is 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QDHCTQUTHBYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c14-13(15,16)8-18-1-3-19(4-2-18)10(21)9-7-17-12-20(11(9)22)5-6-23-12/h5-7H,1-4,8H2.
What are the key properties of 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 346.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51305845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).