2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C9H11F3N2S — CID 79964343

IUPAC2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)CCc1nc2c(s1)CNCC2
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)3-1-8-14-6-2-4-13-5-7(6)15-8/h13H,1-5H2
InChIKeyMVFJFABMRNSSGV-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.28
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 79964343) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID79964343
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)(F)CCc1nc2c(s1)CNCC2
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)3-1-8-14-6-2-4-13-5-7(6)15-8/h13H,1-5H2
InChIKeyMVFJFABMRNSSGV-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 79964343) is 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is FC(F)(F)CCc1nc2c(s1)CNCC2.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is MVFJFABMRNSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)3-1-8-14-6-2-4-13-5-7(6)15-8/h13H,1-5H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 236.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 79964343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).