5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine

C11H11FN2S — CID 116811882

IUPAC5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2ccc(C)c(F)c2)s1
InChIInChI=1S/C11H11FN2S/c1-7-3-4-8(5-9(7)12)10-6-14-11(13-2)15-10/h3-6H,1-2H3,(H,13,14)
InChIKeyDFJKHBNMOQEWKL-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.30
Rot. Bonds2

About 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine

5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 116811882) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID116811882
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(-c2ccc(C)c(F)c2)s1
InChIInChI=1S/C11H11FN2S/c1-7-3-4-8(5-9(7)12)10-6-14-11(13-2)15-10/h3-6H,1-2H3,(H,13,14)
InChIKeyDFJKHBNMOQEWKL-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N,2-N-trimethyl-4-[2-(methylamino)-1,3-thiazol-5-yl]benzene-1,2-diamine
CID 143508746
N-methyl-5-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 116811809
5-(2-chloro-6-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811869
N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 88977985
5-(4-cyclopropylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811891
ethane;N-methyl-5-pyridin-3-yl-1,3-thiazol-2-amine
CID 143142326
N-methyl-5-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 116811791
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
1-[2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62653769
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine (CID 116811882) is 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine is CNc1ncc(-c2ccc(C)c(F)c2)s1.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DFJKHBNMOQEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-7-3-4-8(5-9(7)12)10-6-14-11(13-2)15-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116811882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).