4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine

C12H16N4S — CID 62184109

IUPAC4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)Cc1ccccc1
InChIInChI=1S/C12H16N4S/c1-13-12-11(14-15-17-12)9-16(2)8-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyZUAYHQLXJGPQIF-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.21
Rot. Bonds5

About 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62184109) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62184109
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)Cc1ccccc1
InChIInChI=1S/C12H16N4S/c1-13-12-11(14-15-17-12)9-16(2)8-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3
InChIKeyZUAYHQLXJGPQIF-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
CID 62208650
N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
CID 62183083
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
N-methyl-4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 62209431
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
N-methyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62183804
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013669
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
CID 104554389

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 62184109) is 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)Cc1ccccc1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is ZUAYHQLXJGPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-13-12-11(14-15-17-12)9-16(2)8-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 248.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62184109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).