4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride

C11H17ClN4S — CID 141288501

IUPAC4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride
SMILESCl.c1cc([C@H]2CCCNC2)n(C2=NCSC2)n1
InChIInChI=1S/C11H16N4S.ClH/c1-2-9(6-12-4-1)10-3-5-14-15(10)11-7-16-8-13-11;/h3,5,9,12H,1-2,4,6-8H2;1H/t9-;/m0./s1
InChIKeyZWNLNKREPIYRCL-FVGYRXGTSA-N
MW272.81 g/mol
LogP1.72
Rot. Bonds1

About 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride

4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride (PubChem CID 141288501) has the molecular formula C11H17ClN4S and a molecular weight of 272.81 g/mol. Its IUPAC name is 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride
PubChem CID141288501
Molecular FormulaC11H17ClN4S
Molecular Weight272.81 g/mol
Exact Mass272.09
IUPAC Name4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride
SMILESCl.c1cc([C@H]2CCCNC2)n(C2=NCSC2)n1
InChIInChI=1S/C11H16N4S.ClH/c1-2-9(6-12-4-1)10-3-5-14-15(10)11-7-16-8-13-11;/h3,5,9,12H,1-2,4,6-8H2;1H/t9-;/m0./s1
InChIKeyZWNLNKREPIYRCL-FVGYRXGTSA-N
XLogP1.72
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.81
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride with MolForge

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Related Compounds

[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 141288580
3-(2-cyclopentylpyrazol-3-yl)piperidine
CID 102547955
3-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392631
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
1-(azocan-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903731
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759
4-piperidin-3-ylpyrazolo[1,5-a]pyridine
CID 83831871
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 126448053
1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-3-ylpyrazol-1-yl)ethanone;hydrochloride
CID 154903726
7-piperidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
CID 46737117

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride (CID 141288501) is 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride is Cl.c1cc([C@H]2CCCNC2)n(C2=NCSC2)n1.
What is the InChIKey of 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride?
The InChIKey is ZWNLNKREPIYRCL-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H16N4S.ClH/c1-2-9(6-12-4-1)10-3-5-14-15(10)11-7-16-8-13-11;/h3,5,9,12H,1-2,4,6-8H2;1H/t9-;/m0./s1.
What are the key properties of 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride?
4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride has a molecular weight of 272.81 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-2,5-dihydro-1,3-thiazole;hydrochloride is sourced from PubChem (CID 141288501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).