2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine

C17H15F3N4S — CID 4126536

IUPAC2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cccc(N2CCN(c3nc4cccnc4s3)CC2)c1
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)12-3-1-4-13(11-12)23-7-9-24(10-8-23)16-22-14-5-2-6-21-15(14)25-16/h1-6,11H,7-10H2
InChIKeyDYPBWECMONIYQB-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.04
Rot. Bonds2

About 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 4126536) has the molecular formula C17H15F3N4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID4126536
Molecular FormulaC17H15F3N4S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cccc(N2CCN(c3nc4cccnc4s3)CC2)c1
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)12-3-1-4-13(11-12)23-7-9-24(10-8-23)16-22-14-5-2-6-21-15(14)25-16/h1-6,11H,7-10H2
InChIKeyDYPBWECMONIYQB-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45482756
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CID 10621131
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CID 44553176
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine (CID 4126536) is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)c1cccc(N2CCN(c3nc4cccnc4s3)CC2)c1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is DYPBWECMONIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4S/c18-17(19,20)12-3-1-4-13(11-12)23-7-9-24(10-8-23)16-22-14-5-2-6-21-15(14)25-16/h1-6,11H,7-10H2.
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 364.40 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 4126536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).