2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

C13H14F2N2S2 — CID 55034725

IUPAC2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1CCNc1ccccc1SC(F)F
InChIInChI=1S/C13H14F2N2S2/c1-9-11(18-8-17-9)6-7-16-10-4-2-3-5-12(10)19-13(14)15/h2-5,8,13,16H,6-7H2,1H3
InChIKeyNMRDLSBZNZYNHJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.42
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline

2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 55034725) has the molecular formula C13H14F2N2S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID55034725
Molecular FormulaC13H14F2N2S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ncsc1CCNc1ccccc1SC(F)F
InChIInChI=1S/C13H14F2N2S2/c1-9-11(18-8-17-9)6-7-16-10-4-2-3-5-12(10)19-13(14)15/h2-5,8,13,16H,6-7H2,1H3
InChIKeyNMRDLSBZNZYNHJ-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
CID 62070632
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 62071321
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
CID 62253869
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
2-(difluoromethylsulfanyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868732
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62069570
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
2,3,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809050
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
N-(2-tert-butylsulfonylethyl)-2-(difluoromethylsulfanyl)aniline
CID 106722976
4-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 62104295
3,4,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809929

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 55034725) is 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ncsc1CCNc1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is NMRDLSBZNZYNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S2/c1-9-11(18-8-17-9)6-7-16-10-4-2-3-5-12(10)19-13(14)15/h2-5,8,13,16H,6-7H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 300.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 55034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).