2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine

C11H13N3S — CID 65272739

IUPAC2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
SMILESCc1nsc(CC(N)c2ccccc2)n1
InChIInChI=1S/C11H13N3S/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3
InChIKeyRAKXHNIYOHDQSD-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine

2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine (PubChem CID 65272739) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
PubChem CID65272739
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
SMILESCc1nsc(CC(N)c2ccccc2)n1
InChIInChI=1S/C11H13N3S/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3
InChIKeyRAKXHNIYOHDQSD-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65280107
5-(2-bromo-2-phenylethyl)-3-methyl-1,2,4-thiadiazole
CID 65272745
1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
CID 65280108
1-(3-iodophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019204
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981
2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
CID 43185912
1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62795308
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1-phenylethanamine
CID 63196625
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
The IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine (CID 65272739) is 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
The canonical SMILES for 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine is Cc1nsc(CC(N)c2ccccc2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
The InChIKey is RAKXHNIYOHDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-13-11(15-14-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine?
2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine is sourced from PubChem (CID 65272739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).