4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline

C11H10F2N2O2S2 — CID 62759433

IUPAC4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESO=S(=O)(c1ccc(NCc2cncs2)cc1)C(F)F
InChIInChI=1S/C11H10F2N2O2S2/c12-11(13)19(16,17)10-3-1-8(2-4-10)15-6-9-5-14-7-18-9/h1-5,7,11,15H,6H2
InChIKeyYEXHTVWJVSXPSM-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.75
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline

4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62759433) has the molecular formula C11H10F2N2O2S2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62759433
Molecular FormulaC11H10F2N2O2S2
Molecular Weight304.34 g/mol
Exact Mass304.02
IUPAC Name4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESO=S(=O)(c1ccc(NCc2cncs2)cc1)C(F)F
InChIInChI=1S/C11H10F2N2O2S2/c12-11(13)19(16,17)10-3-1-8(2-4-10)15-6-9-5-14-7-18-9/h1-5,7,11,15H,6H2
InChIKeyYEXHTVWJVSXPSM-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

N-[(4-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 43683904
N-[(4,5-dibromothiophen-2-yl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 102832162
4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43683901
N-[(3-bromothiophen-2-yl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 78983812
4-(difluoromethylsulfonyl)-N-(2-thiophen-2-ylethyl)aniline
CID 43455311
4-(difluoromethylsulfonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 54884844
4-(difluoromethylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 103894474
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
4-[[4-(difluoromethylsulfonyl)anilino]methyl]-1-methylpyrazol-5-amine
CID 79529335
3-methylsulfonyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759833
4-(difluoromethylsulfonyl)-N-(pyridazin-3-ylmethyl)aniline
CID 106832775
4-(difluoromethylsulfonyl)-N-(2,2,2-trifluoroethyl)aniline
CID 43383566

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62759433) is 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline is O=S(=O)(c1ccc(NCc2cncs2)cc1)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is YEXHTVWJVSXPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S2/c12-11(13)19(16,17)10-3-1-8(2-4-10)15-6-9-5-14-7-18-9/h1-5,7,11,15H,6H2.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline?
4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-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 4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62759433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).