N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline

C13H13F3N2S — CID 43760127

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCc1ncsc1C(C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-8-12(19-7-17-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h3-7,9,18H,1-2H3
InChIKeyNQEWYFGPJCQACG-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.64
Rot. Bonds3

About N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 43760127) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
PubChem CID43760127
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
SMILESCc1ncsc1C(C)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-8-12(19-7-17-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h3-7,9,18H,1-2H3
InChIKeyNQEWYFGPJCQACG-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline (CID 43760127) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline is Cc1ncsc1C(C)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is NQEWYFGPJCQACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8-12(19-7-17-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h3-7,9,18H,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline has a molecular weight of 286.32 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43760127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).