2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide

C10H12N4O2S3 — CID 167939499

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
SMILESNS(=O)(=O)CCSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C10H12N4O2S3/c11-19(15,16)7-6-17-10-14-13-9(18-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H2,11,15,16)
InChIKeyIWRDQOMWXIKTJX-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.66
Rot. Bonds6

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide (PubChem CID 167939499) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
PubChem CID167939499
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
SMILESNS(=O)(=O)CCSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C10H12N4O2S3/c11-19(15,16)7-6-17-10-14-13-9(18-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H2,11,15,16)
InChIKeyIWRDQOMWXIKTJX-UHFFFAOYSA-N
XLogP1.66
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25392998
5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 2161516
4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one
CID 2107142
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356
4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzoic acid
CID 28916143
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 3321673
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
5-[2-(benzenesulfonyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 37161996
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 94695298
5-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 94696801
3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2089374

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide (CID 167939499) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide is NS(=O)(=O)CCSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide?
The InChIKey is IWRDQOMWXIKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c11-19(15,16)7-6-17-10-14-13-9(18-10)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H2,11,15,16).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 167939499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).