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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Related Compounds

2-methylsulfonyl-5-(sulfinatoamino)-1,3,4-thiadiazole
CID 71189131
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
1-(2-chloroethyl)-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 71385879
2-(dichloromethyl)-5-methylsulfonyl-1,3,4-thiadiazole
CID 14349596
N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
CID 54080537
N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane
CID 142027710
N-[5-[(1S,3R)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 138478505
3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17012997
2-[chloro(fluoro)methyl]-5-methylsulfonyl-1,3,4-thiadiazole
CID 14988189
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170912814

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).