5-[(3R)-piperidin-3-yl]-1,3-thiazole

C8H12N2S — CID 96632228

IUPAC5-[(3R)-piperidin-3-yl]-1,3-thiazole
SMILESc1ncc([C@@H]2CCCNC2)s1
InChIInChI=1S/C8H12N2S/c1-2-7(4-9-3-1)8-5-10-6-11-8/h5-7,9H,1-4H2/t7-/m1/s1
InChIKeyNREKQZQIRFJAGL-SSDOTTSWSA-N
MW168.26 g/mol
LogP1.61
Rot. Bonds1

About 5-[(3R)-piperidin-3-yl]-1,3-thiazole

5-[(3R)-piperidin-3-yl]-1,3-thiazole (PubChem CID 96632228) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-[(3R)-piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3R)-piperidin-3-yl]-1,3-thiazole
PubChem CID96632228
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-[(3R)-piperidin-3-yl]-1,3-thiazole
SMILESc1ncc([C@@H]2CCCNC2)s1
InChIInChI=1S/C8H12N2S/c1-2-7(4-9-3-1)8-5-10-6-11-8/h5-7,9H,1-4H2/t7-/m1/s1
InChIKeyNREKQZQIRFJAGL-SSDOTTSWSA-N
XLogP1.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
5-pyrrolidin-3-ylpyrimidine
CID 66996535
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
4-piperidin-3-yl-1,3-thiazole;hydrobromide
CID 118295102
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913
4-chloro-5-piperidin-3-yl-1,2-thiazole
CID 84671186
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 115041800
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 5-[(3R)-piperidin-3-yl]-1,3-thiazole (CID 96632228) is 5-[(3R)-piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[(3R)-piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[(3R)-piperidin-3-yl]-1,3-thiazole is c1ncc([C@@H]2CCCNC2)s1.
What is the InChIKey of 5-[(3R)-piperidin-3-yl]-1,3-thiazole?
The InChIKey is NREKQZQIRFJAGL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-7(4-9-3-1)8-5-10-6-11-8/h5-7,9H,1-4H2/t7-/m1/s1.
What are the key properties of 5-[(3R)-piperidin-3-yl]-1,3-thiazole?
5-[(3R)-piperidin-3-yl]-1,3-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 96632228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).