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

C17H15FN2S — CID 53271560

IUPAC1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESFc1ccccc1CNCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C17H15FN2S/c18-15-9-5-4-8-14(15)10-19-12-17-20-11-16(21-17)13-6-2-1-3-7-13/h1-9,11,19H,10,12H2
InChIKeyXRXNBIWOOCRSDZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.24
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 53271560) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID53271560
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESFc1ccccc1CNCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C17H15FN2S/c18-15-9-5-4-8-14(15)10-19-12-17-20-11-16(21-17)13-6-2-1-3-7-13/h1-9,11,19H,10,12H2
InChIKeyXRXNBIWOOCRSDZ-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
2-(2-fluorophenyl)-N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272225
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271478
N-[[5-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53272929
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
2-(2-fluorophenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53273470
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271591
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine (CID 53271560) is 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine is Fc1ccccc1CNCc1ncc(-c2ccccc2)s1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is XRXNBIWOOCRSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-15-9-5-4-8-14(15)10-19-12-17-20-11-16(21-17)13-6-2-1-3-7-13/h1-9,11,19H,10,12H2.
What are the key properties of 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 53271560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).