N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C13H16FN3S — CID 55111876

IUPACN-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)c2ccc(F)cc2)s1
InChIInChI=1S/C13H16FN3S/c1-9(15-2)12-8-16-13(18-12)17(3)11-6-4-10(14)5-7-11/h4-9,15H,1-3H3
InChIKeyGQPPRJZPSCVKKF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.33
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 55111876) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID55111876
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)c2ccc(F)cc2)s1
InChIInChI=1S/C13H16FN3S/c1-9(15-2)12-8-16-13(18-12)17(3)11-6-4-10(14)5-7-11/h4-9,15H,1-3H3
InChIKeyGQPPRJZPSCVKKF-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148
N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751974
5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750864
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
N-methyl-5-[1-(methylamino)ethyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81068221
5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750532
N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750234
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750040

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 55111876) is N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1cnc(N(C)c2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is GQPPRJZPSCVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9(15-2)12-8-16-13(18-12)17(3)11-6-4-10(14)5-7-11/h4-9,15H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55111876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).