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

C5H7N3O3S2 — CID 54080537

IUPACN-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(S(C)(=O)=O)s1
InChIInChI=1S/C5H7N3O3S2/c1-6-3(9)4-7-8-5(12-4)13(2,10)11/h1-2H3,(H,6,9)
InChIKeyMMTYIHMWXABODP-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.70
Rot. Bonds2

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

N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 54080537) has the molecular formula C5H7N3O3S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID54080537
Molecular FormulaC5H7N3O3S2
Molecular Weight221.26 g/mol
Exact Mass220.99
IUPAC NameN-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(S(C)(=O)=O)s1
InChIInChI=1S/C5H7N3O3S2/c1-6-3(9)4-7-8-5(12-4)13(2,10)11/h1-2H3,(H,6,9)
InChIKeyMMTYIHMWXABODP-UHFFFAOYSA-N
XLogP-0.70
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide (CID 54080537) is N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide is CNC(=O)c1nnc(S(C)(=O)=O)s1.
What is the InChIKey of N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MMTYIHMWXABODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3S2/c1-6-3(9)4-7-8-5(12-4)13(2,10)11/h1-2H3,(H,6,9).
What are the key properties of N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide?
N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 54080537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).