(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine

C9H16N4S — CID 166760972

IUPAC(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3/t7-/m0/s1
InChIKeyXVYVLNBCDIZERF-ZETCQYMHSA-N
MW212.32 g/mol
LogP1.55
Rot. Bonds2

About (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine

(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 166760972) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID166760972
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(N2CCCCC2)ns1
InChIInChI=1S/C9H16N4S/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3/t7-/m0/s1
InChIKeyXVYVLNBCDIZERF-ZETCQYMHSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine (CID 166760972) is (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine is C[C@H](N)c1nc(N2CCCCC2)ns1.
What is the InChIKey of (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is XVYVLNBCDIZERF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(10)8-11-9(12-14-8)13-5-3-2-4-6-13/h7H,2-6,10H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine?
(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 166760972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).