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

C11H11FN2OS — CID 114417666

IUPAC5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1csc(Oc2cc(C)c(N)cc2F)n1
InChIInChI=1S/C11H11FN2OS/c1-6-3-10(8(12)4-9(6)13)15-11-14-7(2)5-16-11/h3-5H,13H2,1-2H3
InChIKeyZARNXFHQPNVZNG-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.27
Rot. Bonds2

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

5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 114417666) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID114417666
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1csc(Oc2cc(C)c(N)cc2F)n1
InChIInChI=1S/C11H11FN2OS/c1-6-3-10(8(12)4-9(6)13)15-11-14-7(2)5-16-11/h3-5H,13H2,1-2H3
InChIKeyZARNXFHQPNVZNG-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43259357
N-(4-methoxy-2-methylphenyl)-N'-[4-(trifluoromethyl)-I,3-thiazol-2-yl]thiourea
CID 11617190
N-[2,6-dimethyl-4-(4-trifluoromethylthiazol-2-yloxy)phenyl]-N'-tert-butylthiourea
CID 19979627
N-[2,6-dimethyl-4-(4-trifluoromethylthiazol-2-yloxy)phenyl]-N'-tert-butyl-S-methylisothiourea
CID 19979632
4-[2-(4-Amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-3,3-dimethylbutanamide
CID 156361009
2-fluoro-4-[[4-(4-fluoro-3-methyl-2H-azepin-6-yl)-1,3-thiazol-2-yl]oxy]aniline
CID 156371118
4-[(4-Bromo-1,3-thiazol-2-yl)oxy]-2-fluoroaniline
CID 157047128
N-[1-[2-(4-amino-3-fluorophenoxy)-1,3-thiazol-4-yl]-2-methylpropan-2-yl]acetamide
CID 167316533
2-(3-Methylphenoxy)-4-(trifluoromethyl)-1,3-thiazole
CID 176690928
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 3902810
4-[2-(4-Methyl-1,3-thiazol-5-yl)ethoxy]-2-(trifluoromethyl)aniline
CID 29043898
4-Fluoro-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43364049

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline (CID 114417666) is 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is Cc1csc(Oc2cc(C)c(N)cc2F)n1.
What is the InChIKey of 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is ZARNXFHQPNVZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6-3-10(8(12)4-9(6)13)15-11-14-7(2)5-16-11/h3-5H,13H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline?
5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline has a molecular weight of 238.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 114417666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).