4-[(N-ethylanilino)methyl]thiadiazol-5-amine

C11H14N4S — CID 62184634

IUPAC4-[(N-ethylanilino)methyl]thiadiazol-5-amine
SMILESCCN(Cc1nnsc1N)c1ccccc1
InChIInChI=1S/C11H14N4S/c1-2-15(9-6-4-3-5-7-9)8-10-11(12)16-14-13-10/h3-7H,2,8,12H2,1H3
InChIKeyNTQKEBNZSOVMNQ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.15
Rot. Bonds4

About 4-[(N-ethylanilino)methyl]thiadiazol-5-amine

4-[(N-ethylanilino)methyl]thiadiazol-5-amine (PubChem CID 62184634) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-[(N-ethylanilino)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(N-ethylanilino)methyl]thiadiazol-5-amine
PubChem CID62184634
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-[(N-ethylanilino)methyl]thiadiazol-5-amine
SMILESCCN(Cc1nnsc1N)c1ccccc1
InChIInChI=1S/C11H14N4S/c1-2-15(9-6-4-3-5-7-9)8-10-11(12)16-14-13-10/h3-7H,2,8,12H2,1H3
InChIKeyNTQKEBNZSOVMNQ-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 78962039
N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
CID 62208555
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
4-[(N-ethyl-3-methylanilino)methyl]-N-propylthiadiazol-5-amine
CID 62182091
CID 161146216
CID 161146216
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
CID 62891798
N-ethyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 80613981
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-ethylaniline
CID 80610847
3-[(N-ethylanilino)methyl]pyridin-2-amine
CID 62471121
2-[(N-ethylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80656838
2,6-dibromo-4-[(N-ethylanilino)methyl]aniline
CID 163436090

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethylanilino)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(N-ethylanilino)methyl]thiadiazol-5-amine (CID 62184634) is 4-[(N-ethylanilino)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(N-ethylanilino)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(N-ethylanilino)methyl]thiadiazol-5-amine is CCN(Cc1nnsc1N)c1ccccc1.
What is the InChIKey of 4-[(N-ethylanilino)methyl]thiadiazol-5-amine?
The InChIKey is NTQKEBNZSOVMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-15(9-6-4-3-5-7-9)8-10-11(12)16-14-13-10/h3-7H,2,8,12H2,1H3.
What are the key properties of 4-[(N-ethylanilino)methyl]thiadiazol-5-amine?
4-[(N-ethylanilino)methyl]thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethylanilino)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62184634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).