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

C11H15N3O2S4 — CID 47130653

IUPAC5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)CCSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C11H15N3O2S4/c1-20(15,16)8-7-18-11-14-13-10(19-11)12-5-4-9-3-2-6-17-9/h2-3,6H,4-5,7-8H2,1H3,(H,12,13)
InChIKeyJVCRGKBGBZZUQH-UHFFFAOYSA-N
MW349.53 g/mol
LogP2.39
Rot. Bonds8

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

5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 47130653) has the molecular formula C11H15N3O2S4 and a molecular weight of 349.53 g/mol. Its IUPAC name is 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID47130653
Molecular FormulaC11H15N3O2S4
Molecular Weight349.53 g/mol
Exact Mass349.00
IUPAC Name5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCS(=O)(=O)CCSc1nnc(NCCc2cccs2)s1
InChIInChI=1S/C11H15N3O2S4/c1-20(15,16)8-7-18-11-14-13-10(19-11)12-5-4-9-3-2-6-17-9/h2-3,6H,4-5,7-8H2,1H3,(H,12,13)
InChIKeyJVCRGKBGBZZUQH-UHFFFAOYSA-N
XLogP2.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 47130725
1-[2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35364013
N-(2-methylsulfonylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24562908
5-[(3-methylphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576791
2-[4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butyl]isoindole-1,3-dione
CID 16576692
5-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 51283678
2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 17417591
5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 26207414
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576912
N-(2-phenylpropyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16576812
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 18279765
N,N-di(propan-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 18125716

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 47130653) is 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is CS(=O)(=O)CCSc1nnc(NCCc2cccs2)s1.
What is the InChIKey of 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JVCRGKBGBZZUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S4/c1-20(15,16)8-7-18-11-14-13-10(19-11)12-5-4-9-3-2-6-17-9/h2-3,6H,4-5,7-8H2,1H3,(H,12,13).
What are the key properties of 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 349.53 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethylsulfanyl)-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 47130653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).