(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine

C8H14N4S — CID 130600117

IUPAC(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2cnns2)C1
InChIInChI=1S/C8H14N4S/c9-7-2-1-3-12(5-7)6-8-4-10-11-13-8/h4,7H,1-3,5-6,9H2/t7-/m1/s1
InChIKeyZMEPPXUZJSXDKN-SSDOTTSWSA-N
MW198.29 g/mol
LogP0.46
Rot. Bonds2

About (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine

(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine (PubChem CID 130600117) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine
PubChem CID130600117
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2cnns2)C1
InChIInChI=1S/C8H14N4S/c9-7-2-1-3-12(5-7)6-8-4-10-11-13-8/h4,7H,1-3,5-6,9H2/t7-/m1/s1
InChIKeyZMEPPXUZJSXDKN-SSDOTTSWSA-N
XLogP0.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 86318021
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
CID 61295551
[4-(thiadiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 126983215
1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidin-3-amine
CID 130825662
5-(piperazin-1-ylmethyl)thiadiazole
CID 65215143
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 120846033
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910249
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 39221504
5-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
CID 126793840
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine (CID 130600117) is (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine is N[C@@H]1CCCN(Cc2cnns2)C1.
What is the InChIKey of (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine?
The InChIKey is ZMEPPXUZJSXDKN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4S/c9-7-2-1-3-12(5-7)6-8-4-10-11-13-8/h4,7H,1-3,5-6,9H2/t7-/m1/s1.
What are the key properties of (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine?
(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine has a molecular weight of 198.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 130600117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).