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

C11H10F2N2S2 — CID 55110190

IUPAC2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFC(F)Sc1ccccc1NCc1cncs1
InChIInChI=1S/C11H10F2N2S2/c12-11(13)17-10-4-2-1-3-9(10)15-6-8-5-14-7-16-8/h1-5,7,11,15H,6H2
InChIKeyFTNANEFUBPJVNN-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.07
Rot. Bonds5

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

2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 55110190) has the molecular formula C11H10F2N2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID55110190
Molecular FormulaC11H10F2N2S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESFC(F)Sc1ccccc1NCc1cncs1
InChIInChI=1S/C11H10F2N2S2/c12-11(13)17-10-4-2-1-3-9(10)15-6-8-5-14-7-16-8/h1-5,7,11,15H,6H2
InChIKeyFTNANEFUBPJVNN-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline (CID 55110190) is 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline is FC(F)Sc1ccccc1NCc1cncs1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is FTNANEFUBPJVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S2/c12-11(13)17-10-4-2-1-3-9(10)15-6-8-5-14-7-16-8/h1-5,7,11,15H,6H2.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 55110190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).