1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine

C11H9F3N2S — CID 61332053

IUPAC1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1nccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-4-2-1-3-7(8)9(15)10-16-5-6-17-10/h1-6,9H,15H2
InChIKeyZXQQUMSFTRJFNS-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.21
Rot. Bonds2

About 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine

1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 61332053) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID61332053
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC Name1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1nccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3N2S/c12-11(13,14)8-4-2-1-3-7(8)9(15)10-16-5-6-17-10/h1-6,9H,15H2
InChIKeyZXQQUMSFTRJFNS-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine (CID 61332053) is 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine is NC(c1nccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZXQQUMSFTRJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c12-11(13,14)8-4-2-1-3-7(8)9(15)10-16-5-6-17-10/h1-6,9H,15H2.
What are the key properties of 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine?
1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 258.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61332053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).