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

C17H14ClFN2S — CID 53271475

IUPACN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ncc(-c3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C17H14ClFN2S/c18-14-3-1-2-13(8-14)16-10-21-17(22-16)11-20-9-12-4-6-15(19)7-5-12/h1-8,10,20H,9,11H2
InChIKeyOOQXLBYPYJYWQB-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.89
Rot. Bonds5

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

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 53271475) has the molecular formula C17H14ClFN2S and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID53271475
Molecular FormulaC17H14ClFN2S
Molecular Weight332.83 g/mol
Exact Mass332.06
IUPAC NameN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2ncc(-c3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C17H14ClFN2S/c18-14-3-1-2-13(8-14)16-10-21-17(22-16)11-20-9-12-4-6-15(19)7-5-12/h1-8,10,20H,9,11H2
InChIKeyOOQXLBYPYJYWQB-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine (CID 53271475) is N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2ncc(-c3cccc(Cl)c3)s2)cc1.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is OOQXLBYPYJYWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2S/c18-14-3-1-2-13(8-14)16-10-21-17(22-16)11-20-9-12-4-6-15(19)7-5-12/h1-8,10,20H,9,11H2.
What are the key properties of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 332.83 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 53271475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).