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

C13H16N4OS — CID 103933900

IUPAC4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide
SMILESCCc1nnc(NCc2ccc(C(=O)NC)cc2)s1
InChIInChI=1S/C13H16N4OS/c1-3-11-16-17-13(19-11)15-8-9-4-6-10(7-5-9)12(18)14-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyARJBFFHWZOCTSA-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.07
Rot. Bonds5

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

4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide (PubChem CID 103933900) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide
PubChem CID103933900
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide
SMILESCCc1nnc(NCc2ccc(C(=O)NC)cc2)s1
InChIInChI=1S/C13H16N4OS/c1-3-11-16-17-13(19-11)15-8-9-4-6-10(7-5-9)12(18)14-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyARJBFFHWZOCTSA-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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]benzamide
CID 113341451
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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
2-ethoxy-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107648041
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide (CID 103933900) is 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide is CCc1nnc(NCc2ccc(C(=O)NC)cc2)s1.
What is the InChIKey of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide?
The InChIKey is ARJBFFHWZOCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-11-16-17-13(19-11)15-8-9-4-6-10(7-5-9)12(18)14-2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide?
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide has a molecular weight of 276.37 g/mol, XLogP of 2.07, 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]-N-methylbenzamide is sourced from PubChem (CID 103933900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).