5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole

C11H17FN2S — CID 112645701

IUPAC5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole
SMILESCC(F)(Cc1cncs1)C1CCCNC1
InChIInChI=1S/C11H17FN2S/c1-11(12,5-10-7-14-8-15-10)9-3-2-4-13-6-9/h7-9,13H,2-6H2,1H3
InChIKeyMJLCOHFPRWJKSI-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.41
Rot. Bonds3

About 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole

5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole (PubChem CID 112645701) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole
PubChem CID112645701
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole
SMILESCC(F)(Cc1cncs1)C1CCCNC1
InChIInChI=1S/C11H17FN2S/c1-11(12,5-10-7-14-8-15-10)9-3-2-4-13-6-9/h7-9,13H,2-6H2,1H3
InChIKeyMJLCOHFPRWJKSI-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropyl]piperidin-4-amine
CID 89514841
4-(1,3-Thiazol-5-yl)piperidine dihydrochloride
CID 126810939
5-[5-(2,4-difluorocyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 68392746
5-[5-(2-fluorocyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 68392748
5-(Piperidin-4-yl)thiazole
CID 82413083
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-[(1-Fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole?
The IUPAC name of 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole (CID 112645701) is 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole is CC(F)(Cc1cncs1)C1CCCNC1.
What is the InChIKey of 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole?
The InChIKey is MJLCOHFPRWJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-11(12,5-10-7-14-8-15-10)9-3-2-4-13-6-9/h7-9,13H,2-6H2,1H3.
What are the key properties of 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole?
5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-piperidin-3-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 112645701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).