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

C16H13FN2S — CID 60694963

IUPACN-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESFc1ccccc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H13FN2S/c17-15-4-2-1-3-13(15)11-19-14-7-5-12(6-8-14)16-18-9-10-20-16/h1-10,19H,11H2
InChIKeyJTHOEBWKTZROIH-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.56
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 60694963) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID60694963
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESFc1ccccc1CNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H13FN2S/c17-15-4-2-1-3-13(15)11-19-14-7-5-12(6-8-14)16-18-9-10-20-16/h1-10,19H,11H2
InChIKeyJTHOEBWKTZROIH-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline (CID 60694963) is N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline is Fc1ccccc1CNc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is JTHOEBWKTZROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c17-15-4-2-1-3-13(15)11-19-14-7-5-12(6-8-14)16-18-9-10-20-16/h1-10,19H,11H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline?
N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 284.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60694963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).