1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C12H12ClFN2S — CID 105173582

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H12ClFN2S/c1-7-16-11(6-17-7)12(15-2)9-4-3-8(13)5-10(9)14/h3-6,12,15H,1-2H3
InChIKeyDPINSWFOBBMAOT-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105173582) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105173582
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H12ClFN2S/c1-7-16-11(6-17-7)12(15-2)9-4-3-8(13)5-10(9)14/h3-6,12,15H,1-2H3
InChIKeyDPINSWFOBBMAOT-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine 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

1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105119293
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105342726
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 103053824
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107891595

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105173582) is 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CNC(c1csc(C)n1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is DPINSWFOBBMAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-7-16-11(6-17-7)12(15-2)9-4-3-8(13)5-10(9)14/h3-6,12,15H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 270.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105173582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).