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

C13H14F2N2S2 — CID 54883167

IUPAC2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2ccccc2SC(F)F)s1
InChIInChI=1S/C13H14F2N2S2/c1-2-12-17-8-9(18-12)7-16-10-5-3-4-6-11(10)19-13(14)15/h3-6,8,13,16H,2,7H2,1H3
InChIKeyHOFKOBUQBHRLIS-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.63
Rot. Bonds6

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

2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 54883167) has the molecular formula C13H14F2N2S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID54883167
Molecular FormulaC13H14F2N2S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC Name2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2ccccc2SC(F)F)s1
InChIInChI=1S/C13H14F2N2S2/c1-2-12-17-8-9(18-12)7-16-10-5-3-4-6-11(10)19-13(14)15/h3-6,8,13,16H,2,7H2,1H3
InChIKeyHOFKOBUQBHRLIS-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethylsulfanyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868732
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
5-[[2-(difluoromethylsulfanyl)anilino]methyl]thiophene-2-carboxylic acid
CID 103232605
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 60982261
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
CID 54883427
6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
CID 79776271

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (CID 54883167) is 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is CCc1ncc(CNc2ccccc2SC(F)F)s1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is HOFKOBUQBHRLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S2/c1-2-12-17-8-9(18-12)7-16-10-5-3-4-6-11(10)19-13(14)15/h3-6,8,13,16H,2,7H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 300.40 g/mol, XLogP of 4.63, 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-ethyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 54883167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).