7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H16F3N5O2S — CID 133488827

IUPAC7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(c3ccc(OC(F)(F)F)cn3)CC2)nc2sccn12
InChIInChI=1S/C17H16F3N5O2S/c18-17(19,20)27-13-1-2-14(21-10-13)24-5-3-23(4-6-24)11-12-9-15(26)25-7-8-28-16(25)22-12/h1-2,7-10H,3-6,11H2
InChIKeyBZSHGVGOLBBWLD-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.37
Rot. Bonds4

About 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133488827) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID133488827
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC Name7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCN(c3ccc(OC(F)(F)F)cn3)CC2)nc2sccn12
InChIInChI=1S/C17H16F3N5O2S/c18-17(19,20)27-13-1-2-14(21-10-13)24-5-3-23(4-6-24)11-12-9-15(26)25-7-8-28-16(25)22-12/h1-2,7-10H,3-6,11H2
InChIKeyBZSHGVGOLBBWLD-UHFFFAOYSA-N
XLogP2.37
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 133488827) is 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCN(c3ccc(OC(F)(F)F)cn3)CC2)nc2sccn12.
What is the InChIKey of 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BZSHGVGOLBBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c18-17(19,20)27-13-1-2-14(21-10-13)24-5-3-23(4-6-24)11-12-9-15(26)25-7-8-28-16(25)22-12/h1-2,7-10H,3-6,11H2.
What are the key properties of 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 411.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133488827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).