N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline

C18H20N4S — CID 13427194

IUPACN-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline
SMILESCCNc1ccc(-c2nnsc2-c2ccc(NCC)cc2)cc1
InChIInChI=1S/C18H20N4S/c1-3-19-15-9-5-13(6-10-15)17-18(23-22-21-17)14-7-11-16(12-8-14)20-4-2/h5-12,19-20H,3-4H2,1-2H3
InChIKeyMCXXHZONICMTML-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.74
Rot. Bonds6

About N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline

N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline (PubChem CID 13427194) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline.

Molecular Properties

Compound NameN-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline
PubChem CID13427194
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline
SMILESCCNc1ccc(-c2nnsc2-c2ccc(NCC)cc2)cc1
InChIInChI=1S/C18H20N4S/c1-3-19-15-9-5-13(6-10-15)17-18(23-22-21-17)14-7-11-16(12-8-14)20-4-2/h5-12,19-20H,3-4H2,1-2H3
InChIKeyMCXXHZONICMTML-UHFFFAOYSA-N
XLogP4.74
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[4-(dimethylamino)phenyl]thiadiazol-4-yl]-N,N-dimethylaniline
CID 13427195
1-Hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 42646083
4-[5-(4-Aminophenyl)thiadiazol-4-yl]aniline;dihydrochloride
CID 49860844
N,N-Dimethyl-4-(1,2,3-thiadiazol-4-yl)aniline
CID 156786955
4,5-Bis-(4-aminophenyl)-1,2,3-thiadiazole
CID 13427193
3-N-[(3-fluorophenyl)methyl]-1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzene-1,3-diamine
CID 60064743
3-N-[(2,4-difluorophenyl)methyl]-1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzene-1,3-diamine
CID 60064787
3-N-[(3,5-difluorophenyl)methyl]-1-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzene-1,3-diamine
CID 60064809
3-(3-Fluoro-4-pyrrolidin-1-ylphenyl)-4-methylthiazet-2-amine
CID 89901252
N-[3-(4-fluorophenyl)cyclobutyl]-4-(thiadiazol-4-yl)aniline
CID 75398581
4-ethyl-3-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 115884109
N-methyl-1-(4-methylphenyl)-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]piperidin-4-amine
CID 50963008

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline?
The IUPAC name of N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline (CID 13427194) is N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline.
What is the SMILES notation for N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline?
The canonical SMILES for N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline is CCNc1ccc(-c2nnsc2-c2ccc(NCC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline?
The InChIKey is MCXXHZONICMTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-3-19-15-9-5-13(6-10-15)17-18(23-22-21-17)14-7-11-16(12-8-14)20-4-2/h5-12,19-20H,3-4H2,1-2H3.
What are the key properties of N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline?
N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline has a molecular weight of 324.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-[4-(ethylamino)phenyl]thiadiazol-4-yl]aniline is sourced from PubChem (CID 13427194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).