N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine

C11H14N4S — CID 65273116

IUPACN-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2ccccc2C(C)N)n1
InChIInChI=1S/C11H14N4S/c1-7(12)9-5-3-4-6-10(9)14-11-13-8(2)15-16-11/h3-7H,12H2,1-2H3,(H,13,14,15)
InChIKeyPEDDSVYKXMZPOD-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.61
Rot. Bonds3

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

N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273116) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65273116
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(Nc2ccccc2C(C)N)n1
InChIInChI=1S/C11H14N4S/c1-7(12)9-5-3-4-6-10(9)14-11-13-8(2)15-16-11/h3-7H,12H2,1-2H3,(H,13,14,15)
InChIKeyPEDDSVYKXMZPOD-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-aminoethyl)phenyl]pyridin-4-amine
CID 63761448
N-[2-(1-aminoethyl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 63758913
N-[2-(1-aminoethyl)phenyl]-5,6-dimethylpyrazin-2-amine
CID 114477642
N-[2-(1-aminoethyl)phenyl]quinolin-2-amine
CID 63759098
2-bromo-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzonitrile
CID 114881431
3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133345383
3-methyl-N-(3-methyl-3-phenylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 133429787
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-[3-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]ethanamine
CID 114059039
3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65273090
5-bromo-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzenecarbothioamide
CID 114892111
N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine
CID 63761841

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65273116) is N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(Nc2ccccc2C(C)N)n1.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PEDDSVYKXMZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7(12)9-5-3-4-6-10(9)14-11-13-8(2)15-16-11/h3-7H,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).