1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine

C13H15FN2S — CID 61332320

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C13H15FN2S/c1-8-9(2)17-13(16-8)12(15-3)10-4-6-11(14)7-5-10/h4-7,12,15H,1-3H3
InChIKeyBNMXXDJNNSZBFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.21
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 61332320) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID61332320
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C13H15FN2S/c1-8-9(2)17-13(16-8)12(15-3)10-4-6-11(14)7-5-10/h4-7,12,15H,1-3H3
InChIKeyBNMXXDJNNSZBFZ-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105379120
1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332321
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 61346609
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331924
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 61332716
1-(4-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105087852
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 61332131

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 61332320) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is BNMXXDJNNSZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8-9(2)17-13(16-8)12(15-3)10-4-6-11(14)7-5-10/h4-7,12,15H,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 61332320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).