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

C16H12F2N2S — CID 43407819

IUPAC3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESFc1ccc(-c2nc(CNc3cccc(F)c3)cs2)cc1
InChIInChI=1S/C16H12F2N2S/c17-12-6-4-11(5-7-12)16-20-15(10-21-16)9-19-14-3-1-2-13(18)8-14/h1-8,10,19H,9H2
InChIKeyRSQDNVHPRQLFCZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.70
Rot. Bonds4

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

3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 43407819) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID43407819
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
SMILESFc1ccc(-c2nc(CNc3cccc(F)c3)cs2)cc1
InChIInChI=1S/C16H12F2N2S/c17-12-6-4-11(5-7-12)16-20-15(10-21-16)9-19-14-3-1-2-13(18)8-14/h1-8,10,19H,9H2
InChIKeyRSQDNVHPRQLFCZ-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
CID 43407810
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
CID 43628520
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851
3-methylsulfonyl-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 75413450
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711100

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline (CID 43407819) is 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline is Fc1ccc(-c2nc(CNc3cccc(F)c3)cs2)cc1.
What is the InChIKey of 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is RSQDNVHPRQLFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2S/c17-12-6-4-11(5-7-12)16-20-15(10-21-16)9-19-14-3-1-2-13(18)8-14/h1-8,10,19H,9H2.
What are the key properties of 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline?
3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 302.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 43407819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).