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

C12H13FN2S — CID 105087852

IUPAC1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1ccc(F)cc1)c1csc(C)n1
InChIInChI=1S/C12H13FN2S/c1-8-15-11(7-16-8)12(14-2)9-3-5-10(13)6-4-9/h3-7,12,14H,1-2H3
InChIKeyXMBLESMWZOXLGW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.90
Rot. Bonds3

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

1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105087852) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105087852
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCNC(c1ccc(F)cc1)c1csc(C)n1
InChIInChI=1S/C12H13FN2S/c1-8-15-11(7-16-8)12(14-2)9-3-5-10(13)6-4-9/h3-7,12,14H,1-2H3
InChIKeyXMBLESMWZOXLGW-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

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142558
(1S)-1-(4-fluorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81346960
1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105119293
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105173582
1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114219126
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105087852) is 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is CNC(c1ccc(F)cc1)c1csc(C)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is XMBLESMWZOXLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-15-11(7-16-8)12(14-2)9-3-5-10(13)6-4-9/h3-7,12,14H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
1-(4-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-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105087852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).