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

C15H17F3N2S — CID 62403385

IUPACN-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)sc1CNC(C)C
InChIInChI=1S/C15H17F3N2S/c1-9(2)19-8-13-10(3)20-14(21-13)11-5-4-6-12(7-11)15(16,17)18/h4-7,9,19H,8H2,1-3H3
InChIKeyXKRGXPODHJXERZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.64
Rot. Bonds4

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

N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62403385) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62403385
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)sc1CNC(C)C
InChIInChI=1S/C15H17F3N2S/c1-9(2)19-8-13-10(3)20-14(21-13)11-5-4-6-12(7-11)15(16,17)18/h4-7,9,19H,8H2,1-3H3
InChIKeyXKRGXPODHJXERZ-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403042
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841335
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[2-(2-fluoro-5-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107932011
1-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]-3,3-diphenylpyrrolidin-2-one
CID 67359678
N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63839460
3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889731
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
(E)-3-[4-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]prop-2-enoate
CID 22728025
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 102754125
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62403385) is N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(-c2cccc(C(F)(F)F)c2)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XKRGXPODHJXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-9(2)19-8-13-10(3)20-14(21-13)11-5-4-6-12(7-11)15(16,17)18/h4-7,9,19H,8H2,1-3H3.
What are the key properties of N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 314.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62403385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).