N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine

C13H17FN4S — CID 62208555

IUPACN-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(CC)c1cccc(F)c1
InChIInChI=1S/C13H17FN4S/c1-3-15-13-12(16-17-19-13)9-18(4-2)11-7-5-6-10(14)8-11/h5-8,15H,3-4,9H2,1-2H3
InChIKeyXWDMGNBXLRGVOV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine

N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine (PubChem CID 62208555) has the molecular formula C13H17FN4S and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
PubChem CID62208555
Molecular FormulaC13H17FN4S
Molecular Weight280.37 g/mol
Exact Mass280.12
IUPAC NameN-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN(CC)c1cccc(F)c1
InChIInChI=1S/C13H17FN4S/c1-3-15-13-12(16-17-19-13)9-18(4-2)11-7-5-6-10(14)8-11/h5-8,15H,3-4,9H2,1-2H3
InChIKeyXWDMGNBXLRGVOV-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
CID 62182091
4-(diethylaminomethyl)-N-ethylthiadiazol-5-amine
CID 62178759
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine
CID 62209276
4-[(N-ethylanilino)methyl]thiadiazol-5-amine
CID 62184634
N-ethyl-3-fluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80614477
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
N-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-fluoroaniline
CID 63457156
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine (CID 62208555) is N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine is CCNc1snnc1CN(CC)c1cccc(F)c1.
What is the InChIKey of N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine?
The InChIKey is XWDMGNBXLRGVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4S/c1-3-15-13-12(16-17-19-13)9-18(4-2)11-7-5-6-10(14)8-11/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine?
N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62208555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).