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

C12H11F3N2S2 — CID 55110340

IUPACN-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCc1cncs1
InChIInChI=1S/C12H11F3N2S2/c13-12(14,15)7-18-11-4-2-1-3-10(11)17-6-9-5-16-8-19-9/h1-5,8,17H,6-7H2
InChIKeyRUELDPSRYBFUJA-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.41
Rot. Bonds5

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

N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 55110340) has the molecular formula C12H11F3N2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID55110340
Molecular FormulaC12H11F3N2S2
Molecular Weight304.36 g/mol
Exact Mass304.03
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCc1cncs1
InChIInChI=1S/C12H11F3N2S2/c13-12(14,15)7-18-11-4-2-1-3-10(11)17-6-9-5-16-8-19-9/h1-5,8,17H,6-7H2
InChIKeyRUELDPSRYBFUJA-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 55110340) is N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is FC(F)(F)CSc1ccccc1NCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is RUELDPSRYBFUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S2/c13-12(14,15)7-18-11-4-2-1-3-10(11)17-6-9-5-16-8-19-9/h1-5,8,17H,6-7H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 304.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 55110340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).