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

C19H17FN2OS — CID 141437217

IUPAC2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccccc1COc1ccc(-c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C19H17FN2OS/c20-16-4-2-1-3-14(16)12-23-15-7-5-13(6-8-15)19-22-17-9-10-21-11-18(17)24-19/h1-8,21H,9-12H2
InChIKeyKMFBTSADGZNFEI-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.17
Rot. Bonds4

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

2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 141437217) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID141437217
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1ccccc1COc1ccc(-c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C19H17FN2OS/c20-16-4-2-1-3-14(16)12-23-15-7-5-13(6-8-15)19-22-17-9-10-21-11-18(17)24-19/h1-8,21H,9-12H2
InChIKeyKMFBTSADGZNFEI-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 141437217) is 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Fc1ccccc1COc1ccc(-c2nc3c(s2)CNCC3)cc1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is KMFBTSADGZNFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c20-16-4-2-1-3-14(16)12-23-15-7-5-13(6-8-15)19-22-17-9-10-21-11-18(17)24-19/h1-8,21H,9-12H2.
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 340.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 141437217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).