N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C19H17F3N2S — CID 53272583

IUPACN-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccccc1-c1cnc(CNCc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C19H17F3N2S/c1-13-6-2-4-8-15(13)17-11-24-18(25-17)12-23-10-14-7-3-5-9-16(14)19(20,21)22/h2-9,11,23H,10,12H2,1H3
InChIKeyDRHAMKBNUUPGQS-UHFFFAOYSA-N
MW362.42 g/mol
LogP5.43
Rot. Bonds5

About N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 53272583) has the molecular formula C19H17F3N2S and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID53272583
Molecular FormulaC19H17F3N2S
Molecular Weight362.42 g/mol
Exact Mass362.11
IUPAC NameN-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccccc1-c1cnc(CNCc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C19H17F3N2S/c1-13-6-2-4-8-15(13)17-11-24-18(25-17)12-23-10-14-7-3-5-9-16(14)19(20,21)22/h2-9,11,23H,10,12H2,1H3
InChIKeyDRHAMKBNUUPGQS-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272508
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53271911
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103738802
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271610
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271520
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
3-(2,6-dimethylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 122574255

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 53272583) is N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is Cc1ccccc1-c1cnc(CNCc2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DRHAMKBNUUPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2S/c1-13-6-2-4-8-15(13)17-11-24-18(25-17)12-23-10-14-7-3-5-9-16(14)19(20,21)22/h2-9,11,23H,10,12H2,1H3.
What are the key properties of N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 362.42 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53272583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).