2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline

C14H20N4S — CID 43729358

IUPAC2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCc1csnn1
InChIInChI=1S/C14H20N4S/c1-3-18(4-2)10-12-7-5-6-8-14(12)15-9-13-11-19-17-16-13/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyCADBMDXWGIHHAG-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.99
Rot. Bonds7

About 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline

2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43729358) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43729358
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCc1csnn1
InChIInChI=1S/C14H20N4S/c1-3-18(4-2)10-12-7-5-6-8-14(12)15-9-13-11-19-17-16-13/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyCADBMDXWGIHHAG-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
CID 43750220
2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 43729313
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
CID 64580557
2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399592
3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline (CID 43729358) is 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline is CCN(CC)Cc1ccccc1NCc1csnn1.
What is the InChIKey of 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is CADBMDXWGIHHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-18(4-2)10-12-7-5-6-8-14(12)15-9-13-11-19-17-16-13/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline?
2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 276.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43729358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).