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

C12H14N4OS — CID 113341451

IUPAC4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
SMILESCCc1nnc(NCc2ccc(C(N)=O)cc2)s1
InChIInChI=1S/C12H14N4OS/c1-2-10-15-16-12(18-10)14-7-8-3-5-9(6-4-8)11(13)17/h3-6H,2,7H2,1H3,(H2,13,17)(H,14,16)
InChIKeyOUVFJISKXQTPPY-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.81
Rot. Bonds5

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

4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide (PubChem CID 113341451) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
PubChem CID113341451
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
SMILESCCc1nnc(NCc2ccc(C(N)=O)cc2)s1
InChIInChI=1S/C12H14N4OS/c1-2-10-15-16-12(18-10)14-7-8-3-5-9(6-4-8)11(13)17/h3-6H,2,7H2,1H3,(H2,13,17)(H,14,16)
InChIKeyOUVFJISKXQTPPY-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide
CID 103933900
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
2-chloro-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107647925
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662
2-ethoxy-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107648041
4-[(2-ethylanilino)methyl]benzamide
CID 28583374
1-[5-[2-[4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenyl]phenyl]tetrazol-1-yl]butan-1-one
CID 19029490
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647555
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide (CID 113341451) is 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide is CCc1nnc(NCc2ccc(C(N)=O)cc2)s1.
What is the InChIKey of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide?
The InChIKey is OUVFJISKXQTPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-10-15-16-12(18-10)14-7-8-3-5-9(6-4-8)11(13)17/h3-6H,2,7H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide?
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide has a molecular weight of 262.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 113341451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).