N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide

C4H5N3O3S2 — CID 89353289

IUPACN-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide
SMILESCS(=O)(=O)c1nnc(NC=O)s1
InChIInChI=1S/C4H5N3O3S2/c1-12(9,10)4-7-6-3(11-4)5-2-8/h2H,1H3,(H,5,6,8)
InChIKeyJRQPGWSKZZSHMP-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.49
Rot. Bonds3

About N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide

N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide (PubChem CID 89353289) has the molecular formula C4H5N3O3S2 and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide
PubChem CID89353289
Molecular FormulaC4H5N3O3S2
Molecular Weight207.24 g/mol
Exact Mass206.98
IUPAC NameN-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide
SMILESCS(=O)(=O)c1nnc(NC=O)s1
InChIInChI=1S/C4H5N3O3S2/c1-12(9,10)4-7-6-3(11-4)5-2-8/h2H,1H3,(H,5,6,8)
InChIKeyJRQPGWSKZZSHMP-UHFFFAOYSA-N
XLogP-0.49
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide?
The IUPAC name of N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide (CID 89353289) is N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide.
What is the SMILES notation for N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide?
The canonical SMILES for N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide is CS(=O)(=O)c1nnc(NC=O)s1.
What is the InChIKey of N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide?
The InChIKey is JRQPGWSKZZSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3S2/c1-12(9,10)4-7-6-3(11-4)5-2-8/h2H,1H3,(H,5,6,8).
What are the key properties of N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide?
N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide has a molecular weight of 207.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide is sourced from PubChem (CID 89353289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).