4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H12F3N3S — CID 59828852

IUPAC4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESNCc1ccc(-c2csc(NCC(F)(F)F)n2)cc1
InChIInChI=1S/C12H12F3N3S/c13-12(14,15)7-17-11-18-10(6-19-11)9-3-1-8(5-16)2-4-9/h1-4,6H,5,7,16H2,(H,17,18)
InChIKeyIRIMWUGGNLDLDU-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.24
Rot. Bonds4

About 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 59828852) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID59828852
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESNCc1ccc(-c2csc(NCC(F)(F)F)n2)cc1
InChIInChI=1S/C12H12F3N3S/c13-12(14,15)7-17-11-18-10(6-19-11)9-3-1-8(5-16)2-4-9/h1-4,6H,5,7,16H2,(H,17,18)
InChIKeyIRIMWUGGNLDLDU-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 51107739
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602747
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 166357506
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]prop-2-ene-1-sulfonamide
CID 79672605
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 59828852) is 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is NCc1ccc(-c2csc(NCC(F)(F)F)n2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is IRIMWUGGNLDLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c13-12(14,15)7-17-11-18-10(6-19-11)9-3-1-8(5-16)2-4-9/h1-4,6H,5,7,16H2,(H,17,18).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 287.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59828852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).