N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C15H19F3N4OS — CID 172554757

IUPACN'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1sc(N)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N4OS/c1-20-7-8-22(2)9-12-13(21-14(19)24-12)10-3-5-11(6-4-10)23-15(16,17)18/h3-6,20H,7-9H2,1-2H3,(H2,19,21)
InChIKeyFXQCVDLRBUEAEL-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.94
Rot. Bonds7

About N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 172554757) has the molecular formula C15H19F3N4OS and a molecular weight of 360.41 g/mol. Its IUPAC name is N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID172554757
Molecular FormulaC15H19F3N4OS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC NameN'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1sc(N)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N4OS/c1-20-7-8-22(2)9-12-13(21-14(19)24-12)10-3-5-11(6-4-10)23-15(16,17)18/h3-6,20H,7-9H2,1-2H3,(H2,19,21)
InChIKeyFXQCVDLRBUEAEL-UHFFFAOYSA-N
XLogP2.94
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

[3-chloro-2,6-dimethyl-5-[4-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]-4-pyridinyl] N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 70875729
2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine
CID 62076679
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 59338646
N'-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843682
N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride
CID 120843626
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
5-bromo-2-(bromomethyl)-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 58956218
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132

Frequently Asked Questions

What is the IUPAC name of N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 172554757) is N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1sc(N)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is FXQCVDLRBUEAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4OS/c1-20-7-8-22(2)9-12-13(21-14(19)24-12)10-3-5-11(6-4-10)23-15(16,17)18/h3-6,20H,7-9H2,1-2H3,(H2,19,21).
What are the key properties of N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 360.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-amino-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 172554757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).