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

C15H17FN2OS — CID 129364628

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESFc1ccc(-c2nc(CNC[C@@H]3CCCO3)cs2)cc1
InChIInChI=1S/C15H17FN2OS/c16-12-5-3-11(4-6-12)15-18-13(10-20-15)8-17-9-14-2-1-7-19-14/h3-6,10,14,17H,1-2,7-9H2/t14-/m0/s1
InChIKeyYISLBUVNMUBOOH-AWEZNQCLSA-N
MW292.38 g/mol
LogP3.22
Rot. Bonds5

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

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 129364628) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID129364628
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESFc1ccc(-c2nc(CNC[C@@H]3CCCO3)cs2)cc1
InChIInChI=1S/C15H17FN2OS/c16-12-5-3-11(4-6-12)15-18-13(10-20-15)8-17-9-14-2-1-7-19-14/h3-6,10,14,17H,1-2,7-9H2/t14-/m0/s1
InChIKeyYISLBUVNMUBOOH-AWEZNQCLSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine with MolForge

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Related Compounds

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
1-(oxolan-2-yl)-N-(2H-triazol-4-ylmethyl)methanamine
CID 61318522

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 129364628) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is Fc1ccc(-c2nc(CNC[C@@H]3CCCO3)cs2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is YISLBUVNMUBOOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-12-5-3-11(4-6-12)15-18-13(10-20-15)8-17-9-14-2-1-7-19-14/h3-6,10,14,17H,1-2,7-9H2/t14-/m0/s1.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 292.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 129364628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).