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

C12H10F4N2OS — CID 82711100

IUPAC1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFc1ccc(-c2nc(CNOCC(F)(F)F)cs2)cc1
InChIInChI=1S/C12H10F4N2OS/c13-9-3-1-8(2-4-9)11-18-10(6-20-11)5-17-19-7-12(14,15)16/h1-4,6,17H,5,7H2
InChIKeyMZSVQYAVGYGWOK-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.53
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711100) has the molecular formula C12H10F4N2OS and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711100
Molecular FormulaC12H10F4N2OS
Molecular Weight306.28 g/mol
Exact Mass306.04
IUPAC Name1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFc1ccc(-c2nc(CNOCC(F)(F)F)cs2)cc1
InChIInChI=1S/C12H10F4N2OS/c13-9-3-1-8(2-4-9)11-18-10(6-20-11)5-17-19-7-12(14,15)16/h1-4,6,17H,5,7H2
InChIKeyMZSVQYAVGYGWOK-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine 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

4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 104854722
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,3-thiazole
CID 43320206
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperazin-1-amine
CID 83010558
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylpropanoate
CID 43726131
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 43407819

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711100) is 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine is Fc1ccc(-c2nc(CNOCC(F)(F)F)cs2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is MZSVQYAVGYGWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2OS/c13-9-3-1-8(2-4-9)11-18-10(6-20-11)5-17-19-7-12(14,15)16/h1-4,6,17H,5,7H2.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine?
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 306.28 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82711100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).