N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline

C12H11F3N2S — CID 167508620

IUPACN-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline
SMILESCN(Cc1nccs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2S/c1-17(8-11-16-6-7-18-11)10-4-2-9(3-5-10)12(13,14)15/h2-7H,8H2,1H3
InChIKeyQNDRLHOURYLYGT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.80
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline

N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 167508620) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID167508620
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline
SMILESCN(Cc1nccs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2S/c1-17(8-11-16-6-7-18-11)10-4-2-9(3-5-10)12(13,14)15/h2-7H,8H2,1H3
InChIKeyQNDRLHOURYLYGT-UHFFFAOYSA-N
XLogP3.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline (CID 167508620) is N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline is CN(Cc1nccs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is QNDRLHOURYLYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-17(8-11-16-6-7-18-11)10-4-2-9(3-5-10)12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline?
N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 272.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 167508620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).