5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide

C4H5N3O3S2 — CID 21163834

IUPAC5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)c1nnc(C(N)=O)s1
InChIInChI=1S/C4H5N3O3S2/c1-12(9,10)4-7-6-3(11-4)2(5)8/h1H3,(H2,5,8)
InChIKeyRYWUNYZQGWXGHA-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.96
Rot. Bonds2

About 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide

5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 21163834) has the molecular formula C4H5N3O3S2 and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID21163834
Molecular FormulaC4H5N3O3S2
Molecular Weight207.24 g/mol
Exact Mass206.98
IUPAC Name5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)c1nnc(C(N)=O)s1
InChIInChI=1S/C4H5N3O3S2/c1-12(9,10)4-7-6-3(11-4)2(5)8/h1H3,(H2,5,8)
InChIKeyRYWUNYZQGWXGHA-UHFFFAOYSA-N
XLogP-0.96
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide (CID 21163834) is 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide is CS(=O)(=O)c1nnc(C(N)=O)s1.
What is the InChIKey of 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RYWUNYZQGWXGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3S2/c1-12(9,10)4-7-6-3(11-4)2(5)8/h1H3,(H2,5,8).
What are the key properties of 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 21163834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).