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

C13H13FN2OS — CID 114016262

IUPAC2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cc(-c2nc3c(s2)CNCC3)ccc1F
InChIInChI=1S/C13H13FN2OS/c1-17-11-6-8(2-3-9(11)14)13-16-10-4-5-15-7-12(10)18-13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyKLSKYCSTJFQZME-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds2

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

2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 114016262) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID114016262
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cc(-c2nc3c(s2)CNCC3)ccc1F
InChIInChI=1S/C13H13FN2OS/c1-17-11-6-8(2-3-9(11)14)13-16-10-4-5-15-7-12(10)18-13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyKLSKYCSTJFQZME-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 114016262) is 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is COc1cc(-c2nc3c(s2)CNCC3)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is KLSKYCSTJFQZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-17-11-6-8(2-3-9(11)14)13-16-10-4-5-15-7-12(10)18-13/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 264.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 114016262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).