N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid

C16H19F3N2O3S — CID 154886096

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN(C)CCOc2ccccc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2OS.C2HF3O2/c1-12-11-18-14(15-12)10-16(2)8-9-17-13-6-4-3-5-7-13;3-2(4,5)1(6)7/h3-7,11H,8-10H2,1-2H3;(H,6,7)
InChIKeyGTZQFRMMUXCDQJ-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.60
Rot. Bonds6

About N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid (PubChem CID 154886096) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
PubChem CID154886096
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN(C)CCOc2ccccc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2OS.C2HF3O2/c1-12-11-18-14(15-12)10-16(2)8-9-17-13-6-4-3-5-7-13;3-2(4,5)1(6)7/h3-7,11H,8-10H2,1-2H3;(H,6,7)
InChIKeyGTZQFRMMUXCDQJ-UHFFFAOYSA-N
XLogP3.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
N'-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 24507621
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
1,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-phenoxyethyl)guanidine
CID 111274481
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
CID 111427238
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 110452190

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid (CID 154886096) is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid is Cc1csc(CN(C)CCOc2ccccc2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is GTZQFRMMUXCDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.C2HF3O2/c1-12-11-18-14(15-12)10-16(2)8-9-17-13-6-4-3-5-7-13;3-2(4,5)1(6)7/h3-7,11H,8-10H2,1-2H3;(H,6,7).
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid?
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 376.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).