3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline

C16H13FN2S — CID 114832647

IUPAC3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline
SMILESCc1nc(-c2cccc(N)c2)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2S/c1-10-15(11-5-7-13(17)8-6-11)20-16(19-10)12-3-2-4-14(18)9-12/h2-9H,18H2,1H3
InChIKeyBAQQKLBIQJICLZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.51
Rot. Bonds2

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

3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline (PubChem CID 114832647) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline
PubChem CID114832647
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline
SMILESCc1nc(-c2cccc(N)c2)sc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2S/c1-10-15(11-5-7-13(17)8-6-11)20-16(19-10)12-3-2-4-14(18)9-12/h2-9H,18H2,1H3
InChIKeyBAQQKLBIQJICLZ-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
5-(4-fluorophenyl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 118152375
2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149736
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
5-(4-fluorophenyl)-2-(2-iodo-4-methylphenyl)-4-methyl-1,3-thiazole
CID 163416847
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)aniline
CID 116885231
3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline
CID 16763184
2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline (CID 114832647) is 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline is Cc1nc(-c2cccc(N)c2)sc1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline?
The InChIKey is BAQQKLBIQJICLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c1-10-15(11-5-7-13(17)8-6-11)20-16(19-10)12-3-2-4-14(18)9-12/h2-9H,18H2,1H3.
What are the key properties of 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline?
3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline has a molecular weight of 284.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 114832647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).