3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline

C10H9FN2S — CID 130835519

IUPAC3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cc(N)cc(F)c2)cs1
InChIInChI=1S/C10H9FN2S/c1-6-13-10(5-14-6)7-2-8(11)4-9(12)3-7/h2-5H,12H2,1H3
InChIKeyAMCNRMLUAUFVIT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.84
Rot. Bonds1

About 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline

3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 130835519) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID130835519
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cc(N)cc(F)c2)cs1
InChIInChI=1S/C10H9FN2S/c1-6-13-10(5-14-6)7-2-8(11)4-9(12)3-7/h2-5H,12H2,1H3
InChIKeyAMCNRMLUAUFVIT-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 82276097
2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 11117740
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 130933181
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 79016354
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 2742347
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole
CID 70990406
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
2-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 142693097

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline (CID 130835519) is 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cc(N)cc(F)c2)cs1.
What is the InChIKey of 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is AMCNRMLUAUFVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-6-13-10(5-14-6)7-2-8(11)4-9(12)3-7/h2-5H,12H2,1H3.
What are the key properties of 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 208.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 130835519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).