5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole

C11H17FN2S — CID 84792298

IUPAC5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole
SMILESCC(C)(F)c1cnc(C2CCCNC2)s1
InChIInChI=1S/C11H17FN2S/c1-11(2,12)9-7-14-10(15-9)8-4-3-5-13-6-8/h7-8,13H,3-6H2,1-2H3
InChIKeyVFWYNBZHKKCGOZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.81
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole

5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole (PubChem CID 84792298) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole
PubChem CID84792298
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole
SMILESCC(C)(F)c1cnc(C2CCCNC2)s1
InChIInChI=1S/C11H17FN2S/c1-11(2,12)9-7-14-10(15-9)8-4-3-5-13-6-8/h7-8,13H,3-6H2,1-2H3
InChIKeyVFWYNBZHKKCGOZ-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.81
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-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 71997188
5-(Piperidin-4-yl)thiazole
CID 82413083
2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)-N-methylethanamine
CID 134404948
2-(4,4-difluoropiperidin-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 134404949
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
2-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 169691645
5-(1-Fluoro-2-methylpropyl)-2-methyl-1,3-thiazole
CID 170423989
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
2-Amino-ethyl-5-ter t-butylthiazole
CID 83846934
2-Fluoro-2-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 84021990

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole (CID 84792298) is 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole is CC(C)(F)c1cnc(C2CCCNC2)s1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is VFWYNBZHKKCGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-11(2,12)9-7-14-10(15-9)8-4-3-5-13-6-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole?
5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 84792298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).