5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide

C8H15N5O3S2 — CID 80616080

IUPAC5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCNS(C)(=O)=O)s1
InChIInChI=1S/C8H15N5O3S2/c1-3-9-8-13-12-7(17-8)6(14)10-4-5-11-18(2,15)16/h11H,3-5H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyWESSBQFAEQLBFN-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.75
Rot. Bonds7

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

5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616080) has the molecular formula C8H15N5O3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616080
Molecular FormulaC8H15N5O3S2
Molecular Weight293.37 g/mol
Exact Mass293.06
IUPAC Name5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCNS(C)(=O)=O)s1
InChIInChI=1S/C8H15N5O3S2/c1-3-9-8-13-12-7(17-8)6(14)10-4-5-11-18(2,15)16/h11H,3-5H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyWESSBQFAEQLBFN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methanesulfonamido)propyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342390
5-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617001
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357196
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
N-[2-(ethylsulfamoyl)ethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342589
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616080) is 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCCNS(C)(=O)=O)s1.
What is the InChIKey of 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WESSBQFAEQLBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S2/c1-3-9-8-13-12-7(17-8)6(14)10-4-5-11-18(2,15)16/h11H,3-5H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-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 5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).