5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine

C15H11F2N3O2S3 — CID 133425620

IUPAC5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(Sc2nnc(Nc3ccccc3)s2)cc1)C(F)F
InChIInChI=1S/C15H11F2N3O2S3/c16-13(17)25(21,22)12-8-6-11(7-9-12)23-15-20-19-14(24-15)18-10-4-2-1-3-5-10/h1-9,13H,(H,18,19)
InChIKeyIZAZTDMNVQTRPI-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.43
Rot. Bonds6

About 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine

5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 133425620) has the molecular formula C15H11F2N3O2S3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID133425620
Molecular FormulaC15H11F2N3O2S3
Molecular Weight399.47 g/mol
Exact Mass399.00
IUPAC Name5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(Sc2nnc(Nc3ccccc3)s2)cc1)C(F)F
InChIInChI=1S/C15H11F2N3O2S3/c16-13(17)25(21,22)12-8-6-11(7-9-12)23-15-20-19-14(24-15)18-10-4-2-1-3-5-10/h1-9,13H,(H,18,19)
InChIKeyIZAZTDMNVQTRPI-UHFFFAOYSA-N
XLogP4.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide
CID 52921309
N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24572341
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole
CID 133424793
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-2-fluorobenzene
CID 133425004
N-[4-(difluoromethylsulfonyl)phenyl]-4-methylsulfanylaniline
CID 133426455
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
CID 167939499
N-phenyl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 11981572
(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 42144517
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
CID 133426507
3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25392998
methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 42971507

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine (CID 133425620) is 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine is O=S(=O)(c1ccc(Sc2nnc(Nc3ccccc3)s2)cc1)C(F)F.
What is the InChIKey of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IZAZTDMNVQTRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S3/c16-13(17)25(21,22)12-8-6-11(7-9-12)23-15-20-19-14(24-15)18-10-4-2-1-3-5-10/h1-9,13H,(H,18,19).
What are the key properties of 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 399.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133425620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).