N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine

C14H12FN3OS — CID 104665259

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESFc1ccc(-c2nc(CNCc3ccno3)cs2)cc1
InChIInChI=1S/C14H12FN3OS/c15-11-3-1-10(2-4-11)14-18-12(9-20-14)7-16-8-13-5-6-17-19-13/h1-6,9,16H,7-8H2
InChIKeyNRIFRNDVFFKVJT-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.23
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 104665259) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID104665259
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESFc1ccc(-c2nc(CNCc3ccno3)cs2)cc1
InChIInChI=1S/C14H12FN3OS/c15-11-3-1-10(2-4-11)14-18-12(9-20-14)7-16-8-13-5-6-17-19-13/h1-6,9,16H,7-8H2
InChIKeyNRIFRNDVFFKVJT-UHFFFAOYSA-N
XLogP3.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 104665259) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine is Fc1ccc(-c2nc(CNCc3ccno3)cs2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is NRIFRNDVFFKVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-11-3-1-10(2-4-11)14-18-12(9-20-14)7-16-8-13-5-6-17-19-13/h1-6,9,16H,7-8H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 289.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 104665259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).