N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine

C15H17F3N2S — CID 61331977

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C15H17F3N2S/c1-4-19-13(14-20-9(2)10(3)21-14)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,19H,4H2,1-3H3
InChIKeyRKHKCAULWQRWNH-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.48
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 61331977) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID61331977
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)c1nc(C)c(C)s1
InChIInChI=1S/C15H17F3N2S/c1-4-19-13(14-20-9(2)10(3)21-14)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,19H,4H2,1-3H3
InChIKeyRKHKCAULWQRWNH-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline
CID 61331388
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-[(4-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61330841
N-[(3-chloro-4-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 81154611
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 63667756
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 61332174
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911
N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[(3,4-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544919

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 61331977) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cc1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is RKHKCAULWQRWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-4-19-13(14-20-9(2)10(3)21-14)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,19H,4H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 314.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61331977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).