N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C8H15N5O3S2 — CID 106342589

IUPACN-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1nnc(NC)s1
InChIInChI=1S/C8H15N5O3S2/c1-3-11-18(15,16)5-4-10-6(14)7-12-13-8(9-2)17-7/h11H,3-5H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyZSQZKJUEKLDSAV-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.75
Rot. Bonds7

About N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106342589) has the molecular formula C8H15N5O3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106342589
Molecular FormulaC8H15N5O3S2
Molecular Weight293.37 g/mol
Exact Mass293.06
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1nnc(NC)s1
InChIInChI=1S/C8H15N5O3S2/c1-3-11-18(15,16)5-4-10-6(14)7-12-13-8(9-2)17-7/h11H,3-5H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyZSQZKJUEKLDSAV-UHFFFAOYSA-N
XLogP-0.75
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 113349718
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
N-[3-(methanesulfonamido)propyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342390

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 106342589) is N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCNS(=O)(=O)CCNC(=O)c1nnc(NC)s1.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZSQZKJUEKLDSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S2/c1-3-11-18(15,16)5-4-10-6(14)7-12-13-8(9-2)17-7/h11H,3-5H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106342589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).