5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C12H13FN2S — CID 82054555

IUPAC5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2S/c1-8-11(16-12(14-2)15-8)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyFPTZDQHLZIJFKX-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 82054555) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID82054555
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2S/c1-8-11(16-12(14-2)15-8)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyFPTZDQHLZIJFKX-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine 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

5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054603
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
N-[[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62403730
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 93202790
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 86630514
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43836394
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 82054555) is 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(Cc2cccc(F)c2)s1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is FPTZDQHLZIJFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-11(16-12(14-2)15-8)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 236.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82054555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).