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

C13H13FN2S2 — CID 66083841

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccccc1SCc1nc2c(s1)CNCC2
InChIInChI=1S/C13H13FN2S2/c14-9-3-1-2-4-11(9)17-8-13-16-10-5-6-15-7-12(10)18-13/h1-4,15H,5-8H2
InChIKeyAMFXXLLHDBNSPX-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.22
Rot. Bonds3

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

2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 66083841) has the molecular formula C13H13FN2S2 and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID66083841
Molecular FormulaC13H13FN2S2
Molecular Weight280.39 g/mol
Exact Mass280.05
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccccc1SCc1nc2c(s1)CNCC2
InChIInChI=1S/C13H13FN2S2/c14-9-3-1-2-4-11(9)17-8-13-16-10-5-6-15-7-12(10)18-13/h1-4,15H,5-8H2
InChIKeyAMFXXLLHDBNSPX-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 66083841) is 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Fc1ccccc1SCc1nc2c(s1)CNCC2.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is AMFXXLLHDBNSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S2/c14-9-3-1-2-4-11(9)17-8-13-16-10-5-6-15-7-12(10)18-13/h1-4,15H,5-8H2.
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 280.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 66083841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).