2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline

C11H10F2N2O2S2 — CID 61169847

IUPAC2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESO=S(=O)(c1ccccc1NCc1cscn1)C(F)F
InChIInChI=1S/C11H10F2N2O2S2/c12-11(13)19(16,17)10-4-2-1-3-9(10)14-5-8-6-18-7-15-8/h1-4,6-7,11,14H,5H2
InChIKeyWJDVQVZYUSDSEL-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.75
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline

2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 61169847) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID61169847
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC Name2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESO=S(=O)(c1ccccc1NCc1cscn1)C(F)F
InChIInChI=1S/C11H10F2N2O2S2/c12-11(13)19(16,17)10-4-2-1-3-9(10)14-5-8-6-18-7-15-8/h1-4,6-7,11,14H,5H2
InChIKeyWJDVQVZYUSDSEL-UHFFFAOYSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
CID 130778586
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(difluoromethylsulfonyl)aniline
CID 167747345
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170826
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66177121
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline (CID 61169847) is 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline is O=S(=O)(c1ccccc1NCc1cscn1)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is WJDVQVZYUSDSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-11(13)19(16,17)10-4-2-1-3-9(10)14-5-8-6-18-7-15-8/h1-4,6-7,11,14H,5H2.
What are the key properties of 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 304.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 61169847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).