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

C13H15FN2S — CID 55021494

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCc1nc(CNCc2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-2-13-16-12(9-17-13)8-15-7-10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3
InChIKeyCBUHBKWDMPIPST-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.13
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 55021494) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID55021494
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCc1nc(CNCc2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-2-13-16-12(9-17-13)8-15-7-10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3
InChIKeyCBUHBKWDMPIPST-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
1-ethyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-[(4-fluorophenyl)methyl]guanidine
CID 111832733
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111832730
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226330
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 62524203
[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
CID 110906009
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107644497
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754
2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole
CID 64717531

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (CID 55021494) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is CCc1nc(CNCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is CBUHBKWDMPIPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-13-16-12(9-17-13)8-15-7-10-3-5-11(14)6-4-10/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 55021494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).