2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

C10H19ClN4S — CID 120728721

IUPAC2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2csnn2)C1
InChIInChI=1S/C10H18N4S.ClH/c11-4-3-9-2-1-5-14(6-9)7-10-8-15-13-12-10;/h8-9H,1-7,11H2;1H
InChIKeyCCMDUURFVOKYAZ-UHFFFAOYSA-N
MW262.81 g/mol
LogP1.52
Rot. Bonds4

About 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728721) has the molecular formula C10H19ClN4S and a molecular weight of 262.81 g/mol. Its IUPAC name is 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728721
Molecular FormulaC10H19ClN4S
Molecular Weight262.81 g/mol
Exact Mass262.10
IUPAC Name2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2csnn2)C1
InChIInChI=1S/C10H18N4S.ClH/c11-4-3-9-2-1-5-14(6-9)7-10-8-15-13-12-10;/h8-9H,1-7,11H2;1H
InChIKeyCCMDUURFVOKYAZ-UHFFFAOYSA-N
XLogP1.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 79426860
2-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728593
4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole
CID 75504152
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (CID 120728721) is 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2csnn2)C1.
What is the InChIKey of 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is CCMDUURFVOKYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S.ClH/c11-4-3-9-2-1-5-14(6-9)7-10-8-15-13-12-10;/h8-9H,1-7,11H2;1H.
What are the key properties of 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).