5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

C13H16N4OS — CID 80615969

IUPAC5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccccc2CC)s1
InChIInChI=1S/C13H16N4OS/c1-3-9-7-5-6-8-10(9)15-11(18)12-16-17-13(19-12)14-4-2/h5-8H,3-4H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyDEIDUSGYBXURDT-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.78
Rot. Bonds5

About 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615969) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615969
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccccc2CC)s1
InChIInChI=1S/C13H16N4OS/c1-3-9-7-5-6-8-10(9)15-11(18)12-16-17-13(19-12)14-4-2/h5-8H,3-4H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyDEIDUSGYBXURDT-UHFFFAOYSA-N
XLogP2.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618436
N-(2-ethylphenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384875
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616813
N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9402959
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615969) is 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2ccccc2CC)s1.
What is the InChIKey of 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DEIDUSGYBXURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-9-7-5-6-8-10(9)15-11(18)12-16-17-13(19-12)14-4-2/h5-8H,3-4H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).