2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine

C8H15N3S — CID 82406037

IUPAC2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
SMILESCC(C)Cc1nsc(CCN)n1
InChIInChI=1S/C8H15N3S/c1-6(2)5-7-10-8(3-4-9)12-11-7/h6H,3-5,9H2,1-2H3
InChIKeyXSKHWRAVABXTFZ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine

2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine (PubChem CID 82406037) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
PubChem CID82406037
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
SMILESCC(C)Cc1nsc(CCN)n1
InChIInChI=1S/C8H15N3S/c1-6(2)5-7-10-8(3-4-9)12-11-7/h6H,3-5,9H2,1-2H3
InChIKeyXSKHWRAVABXTFZ-UHFFFAOYSA-N
XLogP1.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82406035
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
1-(3-ethyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 65280169
2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358572
2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 83825855
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280536
2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
CID 133484868
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65280373
1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine
CID 83890411
2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine
CID 83883572
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3-dimethylbutan-2-amine
CID 65280352

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine (CID 82406037) is 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine is CC(C)Cc1nsc(CCN)n1.
What is the InChIKey of 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine?
The InChIKey is XSKHWRAVABXTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)5-7-10-8(3-4-9)12-11-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine?
2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine is sourced from PubChem (CID 82406037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).