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

C12H16N4S — CID 82480391

IUPAC5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(CCc2ccccc2N)s1
InChIInChI=1S/C12H16N4S/c1-16(2)12-15-14-11(17-12)8-7-9-5-3-4-6-10(9)13/h3-6H,7-8,13H2,1-2H3
InChIKeyUGQXLLFSSFICOK-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.97
Rot. Bonds4

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

5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 82480391) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID82480391
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(CCc2ccccc2N)s1
InChIInChI=1S/C12H16N4S/c1-16(2)12-15-14-11(17-12)8-7-9-5-3-4-6-10(9)13/h3-6H,7-8,13H2,1-2H3
InChIKeyUGQXLLFSSFICOK-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.97
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

5-[2-(2-aminophenoxy)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 96666803
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486679
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
2-(2-aminoethyl)aniline;ethane
CID 90745291
N-[(2-aminophenyl)methyl]-N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450013
N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276186
2-[2-(6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)ethyl]aniline
CID 82484121

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 82480391) is 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(CCc2ccccc2N)s1.
What is the InChIKey of 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UGQXLLFSSFICOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16(2)12-15-14-11(17-12)8-7-9-5-3-4-6-10(9)13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 248.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82480391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).