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

C17H15FN2S — CID 152713522

IUPAC4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
SMILESFc1ccc(-c2ccc(NCCc3cscn3)cc2)cc1
InChIInChI=1S/C17H15FN2S/c18-15-5-1-13(2-6-15)14-3-7-16(8-4-14)19-10-9-17-11-21-12-20-17/h1-8,11-12,19H,9-10H2
InChIKeyZUCMIUPRWWDADM-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.60
Rot. Bonds5

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

4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 152713522) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
PubChem CID152713522
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
SMILESFc1ccc(-c2ccc(NCCc3cscn3)cc2)cc1
InChIInChI=1S/C17H15FN2S/c18-15-5-1-13(2-6-15)14-3-7-16(8-4-14)19-10-9-17-11-21-12-20-17/h1-8,11-12,19H,9-10H2
InChIKeyZUCMIUPRWWDADM-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline (CID 152713522) is 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline is Fc1ccc(-c2ccc(NCCc3cscn3)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is ZUCMIUPRWWDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-15-5-1-13(2-6-15)14-3-7-16(8-4-14)19-10-9-17-11-21-12-20-17/h1-8,11-12,19H,9-10H2.
What are the key properties of 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline?
4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 298.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 152713522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).