N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine

C14H15F3N2S — CID 104513426

IUPACN-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
SMILESCNCC(C)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H15F3N2S/c1-9(7-18-2)13-19-12(8-20-13)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9,18H,7H2,1-2H3
InChIKeyVVQFNBIWDCDGNL-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.15
Rot. Bonds4

About N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine

N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 104513426) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
PubChem CID104513426
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
SMILESCNCC(C)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H15F3N2S/c1-9(7-18-2)13-19-12(8-20-13)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9,18H,7H2,1-2H3
InChIKeyVVQFNBIWDCDGNL-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 114080620
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 104513360
(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 46943701
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
4-[hydroxy-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]benzoic acid
CID 66939544
N-[(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 46948654
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol
CID 136609086
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 62585929
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine (CID 104513426) is N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine is CNCC(C)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is VVQFNBIWDCDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-9(7-18-2)13-19-12(8-20-13)10-4-3-5-11(6-10)14(15,16)17/h3-6,8-9,18H,7H2,1-2H3.
What are the key properties of N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 300.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 104513426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).