5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine

C12H16N4S — CID 96663376

IUPAC5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1ccccc1)c1nnc(CN)s1
InChIInChI=1S/C12H16N4S/c1-2-16(9-10-6-4-3-5-7-10)12-15-14-11(8-13)17-12/h3-7H,2,8-9,13H2,1H3
InChIKeyWOIFEHVCGCQUMG-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.02
Rot. Bonds5

About 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine

5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 96663376) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID96663376
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1ccccc1)c1nnc(CN)s1
InChIInChI=1S/C12H16N4S/c1-2-16(9-10-6-4-3-5-7-10)12-15-14-11(8-13)17-12/h3-7H,2,8-9,13H2,1H3
InChIKeyWOIFEHVCGCQUMG-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-aminoethyl)-N-benzyl-N-ethyl-1,3-thiazol-2-amine
CID 55113901
5-(2-aminoethyl)-N,N-diethyl-1,3,4-thiadiazol-2-amine
CID 96657039
N-benzyl-5-(chloromethyl)-N-ethyl-1,3-thiazol-2-amine
CID 130569182
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62750354
3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
CID 62672158
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55113031
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
N-benzyl-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613982
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963
5-[(N-ethylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 78962039
[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779815

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine (CID 96663376) is 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine is CCN(Cc1ccccc1)c1nnc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WOIFEHVCGCQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-16(9-10-6-4-3-5-7-10)12-15-14-11(8-13)17-12/h3-7H,2,8-9,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 248.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 96663376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).