1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine

C12H10F4N2S — CID 144826203

IUPAC1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C12H10F4N2S/c1-17-5-7-2-8(4-9(13)3-7)10-6-18-11(19-10)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeySOFCHCIGAJQAJR-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.69
Rot. Bonds3

About 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine

1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine (PubChem CID 144826203) has the molecular formula C12H10F4N2S and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
PubChem CID144826203
Molecular FormulaC12H10F4N2S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-c2cnc(C(F)(F)F)s2)c1
InChIInChI=1S/C12H10F4N2S/c1-17-5-7-2-8(4-9(13)3-7)10-6-18-11(19-10)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeySOFCHCIGAJQAJR-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine 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

N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
1-[4-chloro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 106784013
N-[[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopropanamine
CID 106783950
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134
1-[3-fluoro-5-[4-(2-methylpropyl)phenyl]phenyl]-N-methylmethanamine
CID 172652256
N-[[3-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]propan-1-amine
CID 106783983
1-[2-[(3,5-difluorophenyl)methyl]pyrimidin-5-yl]-N-methylmethanamine
CID 62756211
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
CID 106783952
N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 106784338
N-[(3-fluoro-5-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783572
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
CID 114026517

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine (CID 144826203) is 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine is CNCc1cc(F)cc(-c2cnc(C(F)(F)F)s2)c1.
What is the InChIKey of 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
The InChIKey is SOFCHCIGAJQAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2S/c1-17-5-7-2-8(4-9(13)3-7)10-6-18-11(19-10)12(14,15)16/h2-4,6,17H,5H2,1H3.
What are the key properties of 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine has a molecular weight of 290.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 144826203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).