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

C12H13FN2S — CID 105119293

IUPAC1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)c1ccccc1F
InChIInChI=1S/C12H13FN2S/c1-8-15-11(7-16-8)12(14-2)9-5-3-4-6-10(9)13/h3-7,12,14H,1-2H3
InChIKeyNNOWMOBDSRQEHY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.90
Rot. Bonds3

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

1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105119293) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105119293
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1csc(C)n1)c1ccccc1F
InChIInChI=1S/C12H13FN2S/c1-8-15-11(7-16-8)12(14-2)9-5-3-4-6-10(9)13/h3-7,12,14H,1-2H3
InChIKeyNNOWMOBDSRQEHY-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105173582
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(2-fluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62500784
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142558
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115827734
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(2-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105119403
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
[(2-cyclobutylphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105341381
[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105301689

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105119293) is 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CNC(c1csc(C)n1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is NNOWMOBDSRQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-15-11(7-16-8)12(14-2)9-5-3-4-6-10(9)13/h3-7,12,14H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 236.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105119293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).