N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide

C13H16N4OS — CID 133317052

IUPACN-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNc2nc(C)ns2)c1
InChIInChI=1S/C13H16N4OS/c1-3-14-12(18)11-6-4-5-10(7-11)8-15-13-16-9(2)17-19-13/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDNBVAZKZYDGIMO-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide

N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide (PubChem CID 133317052) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
PubChem CID133317052
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNc2nc(C)ns2)c1
InChIInChI=1S/C13H16N4OS/c1-3-14-12(18)11-6-4-5-10(7-11)8-15-13-16-9(2)17-19-13/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDNBVAZKZYDGIMO-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]benzamide
CID 133319767
3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-methylbenzamide
CID 133335514
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318630
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 136530357
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide (CID 133317052) is N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide is CCNC(=O)c1cccc(CNc2nc(C)ns2)c1.
What is the InChIKey of N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide?
The InChIKey is DNBVAZKZYDGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-14-12(18)11-6-4-5-10(7-11)8-15-13-16-9(2)17-19-13/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide?
N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide has a molecular weight of 276.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide is sourced from PubChem (CID 133317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).