2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline

C11H8ClF3N2S — CID 55249490

IUPAC2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2nccs2)c1
InChIInChI=1S/C11H8ClF3N2S/c12-8-2-1-7(11(13,14)15)5-9(8)17-6-10-16-3-4-18-10/h1-5,17H,6H2
InChIKeyNFCYABRHFFANEM-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline

2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 55249490) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline
PubChem CID55249490
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2nccs2)c1
InChIInChI=1S/C11H8ClF3N2S/c12-8-2-1-7(11(13,14)15)5-9(8)17-6-10-16-3-4-18-10/h1-5,17H,6H2
InChIKeyNFCYABRHFFANEM-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline (CID 55249490) is 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(NCc2nccs2)c1.
What is the InChIKey of 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is NFCYABRHFFANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c12-8-2-1-7(11(13,14)15)5-9(8)17-6-10-16-3-4-18-10/h1-5,17H,6H2.
What are the key properties of 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline?
2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 292.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 55249490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).