N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine

C7H13N3O2S3 — CID 47119669

IUPACN-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCCS(C)(=O)=O)s1
InChIInChI=1S/C7H13N3O2S3/c1-3-8-6-9-10-7(14-6)13-4-5-15(2,11)12/h3-5H2,1-2H3,(H,8,9)
InChIKeyBHAUQDYZEMNQTO-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.11
Rot. Bonds6

About N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 47119669) has the molecular formula C7H13N3O2S3 and a molecular weight of 267.40 g/mol. Its IUPAC name is N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID47119669
Molecular FormulaC7H13N3O2S3
Molecular Weight267.40 g/mol
Exact Mass267.02
IUPAC NameN-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCCS(C)(=O)=O)s1
InChIInChI=1S/C7H13N3O2S3/c1-3-8-6-9-10-7(14-6)13-4-5-15(2,11)12/h3-5H2,1-2H3,(H,8,9)
InChIKeyBHAUQDYZEMNQTO-UHFFFAOYSA-N
XLogP1.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 47119669) is N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCCS(C)(=O)=O)s1.
What is the InChIKey of N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BHAUQDYZEMNQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S3/c1-3-8-6-9-10-7(14-6)13-4-5-15(2,11)12/h3-5H2,1-2H3,(H,8,9).
What are the key properties of N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.40 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 47119669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).