7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H15F3N4OS — CID 167882868

IUPAC7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNCCCN(Cc1cc(=O)n2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C12H15F3N4OS/c13-12(14,15)8-18(3-1-2-16)7-9-6-10(20)19-4-5-21-11(19)17-9/h4-6H,1-3,7-8,16H2
InChIKeyBSQFKHRIEMOJGI-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.47
Rot. Bonds6

About 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 167882868) has the molecular formula C12H15F3N4OS and a molecular weight of 320.34 g/mol. Its IUPAC name is 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID167882868
Molecular FormulaC12H15F3N4OS
Molecular Weight320.34 g/mol
Exact Mass320.09
IUPAC Name7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNCCCN(Cc1cc(=O)n2ccsc2n1)CC(F)(F)F
InChIInChI=1S/C12H15F3N4OS/c13-12(14,15)8-18(3-1-2-16)7-9-6-10(20)19-4-5-21-11(19)17-9/h4-6H,1-3,7-8,16H2
InChIKeyBSQFKHRIEMOJGI-UHFFFAOYSA-N
XLogP1.47
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 167882868) is 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is NCCCN(Cc1cc(=O)n2ccsc2n1)CC(F)(F)F.
What is the InChIKey of 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BSQFKHRIEMOJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4OS/c13-12(14,15)8-18(3-1-2-16)7-9-6-10(20)19-4-5-21-11(19)17-9/h4-6H,1-3,7-8,16H2.
What are the key properties of 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 320.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 167882868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).