N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C13H16N4OS — CID 80615363

IUPACN-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nnc(NC)s1
InChIInChI=1S/C13H16N4OS/c1-3-17(9-10-7-5-4-6-8-10)12(18)11-15-16-13(14-2)19-11/h4-8H,3,9H2,1-2H3,(H,14,16)
InChIKeyHKCRWIFLVYXLTJ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.24
Rot. Bonds5

About N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615363) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615363
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nnc(NC)s1
InChIInChI=1S/C13H16N4OS/c1-3-17(9-10-7-5-4-6-8-10)12(18)11-15-16-13(14-2)19-11/h4-8H,3,9H2,1-2H3,(H,14,16)
InChIKeyHKCRWIFLVYXLTJ-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624431
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286
N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696304
N-benzyl-5-chloro-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80625347
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide
CID 72548750
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 82959675
N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
N-benzyl-N-ethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385008
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615363) is N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1nnc(NC)s1.
What is the InChIKey of N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HKCRWIFLVYXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-17(9-10-7-5-4-6-8-10)12(18)11-15-16-13(14-2)19-11/h4-8H,3,9H2,1-2H3,(H,14,16).
What are the key properties of N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).