1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine

C10H11N3S — CID 65280108

IUPAC1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESNC(Cc1ncns1)c1ccccc1
InChIInChI=1S/C10H11N3S/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,11H2
InChIKeyWVSLPBOVHYJHDG-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.78
Rot. Bonds3

About 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine

1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 65280108) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID65280108
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine
SMILESNC(Cc1ncns1)c1ccccc1
InChIInChI=1S/C10H11N3S/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,11H2
InChIKeyWVSLPBOVHYJHDG-UHFFFAOYSA-N
XLogP1.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-2-phenylethyl)-1,2,4-thiadiazole
CID 65280012
2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65272739
2-(3-ethyl-1,2,4-thiadiazol-5-yl)-1-phenylethanamine
CID 65280107
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
2-(6-ethylpyrimidin-4-yl)-1-phenylethanamine
CID 63196981
5-(2-bromo-3,3-dimethylbutyl)-1,2,4-thiadiazole
CID 65280076
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
CID 43185912
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine (CID 65280108) is 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine is NC(Cc1ncns1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is WVSLPBOVHYJHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-9(6-10-12-7-13-14-10)8-4-2-1-3-5-8/h1-5,7,9H,6,11H2.
What are the key properties of 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine?
1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 205.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 65280108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).