5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine

C5H8FN3O2S2 — CID 127002287

IUPAC5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(S(=O)(=O)CCF)s1
InChIInChI=1S/C5H8FN3O2S2/c1-7-4-8-9-5(12-4)13(10,11)3-2-6/h2-3H2,1H3,(H,7,8)
InChIKeyMCFKTPWIRABGDB-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.32
Rot. Bonds4

About 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 127002287) has the molecular formula C5H8FN3O2S2 and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID127002287
Molecular FormulaC5H8FN3O2S2
Molecular Weight225.27 g/mol
Exact Mass225.00
IUPAC Name5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(S(=O)(=O)CCF)s1
InChIInChI=1S/C5H8FN3O2S2/c1-7-4-8-9-5(12-4)13(10,11)3-2-6/h2-3H2,1H3,(H,7,8)
InChIKeyMCFKTPWIRABGDB-UHFFFAOYSA-N
XLogP0.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine
CID 51108303
5-propylsulfonyl-1,3,4-thiadiazole-2-carbonitrile
CID 21163850
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]ethanesulfonamide
CID 65208888
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100748256
3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)formamide
CID 89353289
N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 17013356
5-iodo-6-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80607834

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 127002287) is 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(S(=O)(=O)CCF)s1.
What is the InChIKey of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MCFKTPWIRABGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S2/c1-7-4-8-9-5(12-4)13(10,11)3-2-6/h2-3H2,1H3,(H,7,8).
What are the key properties of 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 225.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).