5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C10H8N4O2S4 — CID 18709294

IUPAC5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)c1ccc2nc(Sc3nnc(N)s3)sc2c1
InChIInChI=1S/C10H8N4O2S4/c1-20(15,16)5-2-3-6-7(4-5)17-9(12-6)19-10-14-13-8(11)18-10/h2-4H,1H3,(H2,11,13)
InChIKeyFPLWBRVPTOHLRH-UHFFFAOYSA-N
MW344.47 g/mol
LogP2.28
Rot. Bonds3

About 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18709294) has the molecular formula C10H8N4O2S4 and a molecular weight of 344.47 g/mol. Its IUPAC name is 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18709294
Molecular FormulaC10H8N4O2S4
Molecular Weight344.47 g/mol
Exact Mass343.95
IUPAC Name5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)c1ccc2nc(Sc3nnc(N)s3)sc2c1
InChIInChI=1S/C10H8N4O2S4/c1-20(15,16)5-2-3-6-7(4-5)17-9(12-6)19-10-14-13-8(11)18-10/h2-4H,1H3,(H2,11,13)
InChIKeyFPLWBRVPTOHLRH-UHFFFAOYSA-N
XLogP2.28
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 18709294) is 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CS(=O)(=O)c1ccc2nc(Sc3nnc(N)s3)sc2c1.
What is the InChIKey of 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FPLWBRVPTOHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S4/c1-20(15,16)5-2-3-6-7(4-5)17-9(12-6)19-10-14-13-8(11)18-10/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 344.47 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18709294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).