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

C5H7F2N3O2S2 — CID 130683326

IUPAC5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(S(=O)(=O)CC(F)F)s1
InChIInChI=1S/C5H7F2N3O2S2/c1-8-4-9-10-5(13-4)14(11,12)2-3(6)7/h3H,2H2,1H3,(H,8,9)
InChIKeyOUTROCMQJYJNJS-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.62
Rot. Bonds4

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

5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 130683326) has the molecular formula C5H7F2N3O2S2 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID130683326
Molecular FormulaC5H7F2N3O2S2
Molecular Weight243.26 g/mol
Exact Mass242.99
IUPAC Name5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(S(=O)(=O)CC(F)F)s1
InChIInChI=1S/C5H7F2N3O2S2/c1-8-4-9-10-5(13-4)14(11,12)2-3(6)7/h3H,2H2,1H3,(H,8,9)
InChIKeyOUTROCMQJYJNJS-UHFFFAOYSA-N
XLogP0.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 130683326) is 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(S(=O)(=O)CC(F)F)s1.
What is the InChIKey of 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OUTROCMQJYJNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S2/c1-8-4-9-10-5(13-4)14(11,12)2-3(6)7/h3H,2H2,1H3,(H,8,9).
What are the key properties of 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 243.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130683326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).