2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole

C6H13N5O2S2 — CID 82176491

IUPAC2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole
SMILESCN(C)S(=O)(=O)Nc1nnc(CCN)s1
InChIInChI=1S/C6H13N5O2S2/c1-11(2)15(12,13)10-6-9-8-5(14-6)3-4-7/h3-4,7H2,1-2H3,(H,9,10)
InChIKeyTWBUABIEVZRBAV-UHFFFAOYSA-N
MW251.34 g/mol
LogP-0.74
Rot. Bonds5

About 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole

2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole (PubChem CID 82176491) has the molecular formula C6H13N5O2S2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole
PubChem CID82176491
Molecular FormulaC6H13N5O2S2
Molecular Weight251.34 g/mol
Exact Mass251.05
IUPAC Name2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole
SMILESCN(C)S(=O)(=O)Nc1nnc(CCN)s1
InChIInChI=1S/C6H13N5O2S2/c1-11(2)15(12,13)10-6-9-8-5(14-6)3-4-7/h3-4,7H2,1-2H3,(H,9,10)
InChIKeyTWBUABIEVZRBAV-UHFFFAOYSA-N
XLogP-0.74
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide
CID 82176565
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 98017566
5-(2-aminoethyl)-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 82485718
1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 46971770
3-[methyl-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]amino]propanoic acid
CID 106260239
5-(2-aminoethyl)-N-cycloheptyl-1,3,4-thiadiazol-2-amine
CID 82477350
N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 6461834
5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
CID 96657039
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 82176478
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole (CID 82176491) is 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole is CN(C)S(=O)(=O)Nc1nnc(CCN)s1.
What is the InChIKey of 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole?
The InChIKey is TWBUABIEVZRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S2/c1-11(2)15(12,13)10-6-9-8-5(14-6)3-4-7/h3-4,7H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole?
2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole has a molecular weight of 251.34 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole is sourced from PubChem (CID 82176491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).