2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine

C10H17ClN4S — CID 80606250

IUPAC2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C10H17ClN4S/c11-10-14-13-9(16-10)7-15-5-2-8(1-4-12)3-6-15/h8H,1-7,12H2
InChIKeyLRLUANLBNNGLCQ-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.75
Rot. Bonds4

About 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine

2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 80606250) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID80606250
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC Name2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2nnc(Cl)s2)CC1
InChIInChI=1S/C10H17ClN4S/c11-10-14-13-9(16-10)7-15-5-2-8(1-4-12)3-6-15/h8H,1-7,12H2
InChIKeyLRLUANLBNNGLCQ-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine (CID 80606250) is 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine is NCCC1CCN(Cc2nnc(Cl)s2)CC1.
What is the InChIKey of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is LRLUANLBNNGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c11-10-14-13-9(16-10)7-15-5-2-8(1-4-12)3-6-15/h8H,1-7,12H2.
What are the key properties of 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 260.79 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 80606250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).