N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine

C12H16N4S — CID 65208770

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1ccccc1N)c1nnc(C)s1
InChIInChI=1S/C12H16N4S/c1-3-16(12-15-14-9(2)17-12)8-10-6-4-5-7-11(10)13/h4-7H,3,8,13H2,1-2H3
InChIKeyJCSDASVZMYIHOQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.46
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine

N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208770) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID65208770
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1ccccc1N)c1nnc(C)s1
InChIInChI=1S/C12H16N4S/c1-3-16(12-15-14-9(2)17-12)8-10-6-4-5-7-11(10)13/h4-7H,3,8,13H2,1-2H3
InChIKeyJCSDASVZMYIHOQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787292
N-[(2-aminophenyl)methyl]-N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450013
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 65208612
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376
N-[(2-aminophenyl)methyl]-N-ethylquinolin-2-amine
CID 60875708
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine (CID 65208770) is N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine is CCN(Cc1ccccc1N)c1nnc(C)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JCSDASVZMYIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-16(12-15-14-9(2)17-12)8-10-6-4-5-7-11(10)13/h4-7H,3,8,13H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).