N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine

C17H15FN2OS — CID 19644551

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(COc2ccccc2CNc2nccs2)cc1
InChIInChI=1S/C17H15FN2OS/c18-15-7-5-13(6-8-15)12-21-16-4-2-1-3-14(16)11-20-17-19-9-10-22-17/h1-10H,11-12H2,(H,19,20)
InChIKeyBXFBBFYUBCHIQG-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.47
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 19644551) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID19644551
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(COc2ccccc2CNc2nccs2)cc1
InChIInChI=1S/C17H15FN2OS/c18-15-7-5-13(6-8-15)12-21-16-4-2-1-3-14(16)11-20-17-19-9-10-22-17/h1-10H,11-12H2,(H,19,20)
InChIKeyBXFBBFYUBCHIQG-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine (CID 19644551) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine is Fc1ccc(COc2ccccc2CNc2nccs2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BXFBBFYUBCHIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c18-15-7-5-13(6-8-15)12-21-16-4-2-1-3-14(16)11-20-17-19-9-10-22-17/h1-10H,11-12H2,(H,19,20).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 19644551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).