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

C15H17FN2OS — CID 60920119

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine
SMILESFc1ccc(-c2nc(CNCC3CCOC3)cs2)cc1
InChIInChI=1S/C15H17FN2OS/c16-13-3-1-12(2-4-13)15-18-14(10-20-15)8-17-7-11-5-6-19-9-11/h1-4,10-11,17H,5-9H2
InChIKeyASIPEHNNEMISFA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.08
Rot. Bonds5

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

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 60920119) 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-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine
PubChem CID60920119
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine
SMILESFc1ccc(-c2nc(CNCC3CCOC3)cs2)cc1
InChIInChI=1S/C15H17FN2OS/c16-13-3-1-12(2-4-13)15-18-14(10-20-15)8-17-7-11-5-6-19-9-11/h1-4,10-11,17H,5-9H2
InChIKeyASIPEHNNEMISFA-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine (CID 60920119) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine is Fc1ccc(-c2nc(CNCC3CCOC3)cs2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is ASIPEHNNEMISFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c16-13-3-1-12(2-4-13)15-18-14(10-20-15)8-17-7-11-5-6-19-9-11/h1-4,10-11,17H,5-9H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 292.38 g/mol, XLogP of 3.08, 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-(oxolan-3-yl)methanamine is sourced from PubChem (CID 60920119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).