5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine

C13H15F2N3S — CID 120898349

IUPAC5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1c(F)cccc1F)N(C)Cc1cnc(N)s1
InChIInChI=1S/C13H15F2N3S/c1-8(12-10(14)4-3-5-11(12)15)18(2)7-9-6-17-13(16)19-9/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyFMURTMUETDNIDZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.20
Rot. Bonds4

About 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine

5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120898349) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120898349
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1c(F)cccc1F)N(C)Cc1cnc(N)s1
InChIInChI=1S/C13H15F2N3S/c1-8(12-10(14)4-3-5-11(12)15)18(2)7-9-6-17-13(16)19-9/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyFMURTMUETDNIDZ-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120904904
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120902697
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120897457
5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 122156846
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75369079
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639
5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900573
5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903532
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120898349) is 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine is CC(c1c(F)cccc1F)N(C)Cc1cnc(N)s1.
What is the InChIKey of 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is FMURTMUETDNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-8(12-10(14)4-3-5-11(12)15)18(2)7-9-6-17-13(16)19-9/h3-6,8H,7H2,1-2H3,(H2,16,17).
What are the key properties of 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 283.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).