4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole

C14H14BrFN2S — CID 62913340

IUPAC4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESFc1ccc(-c2csc(C3CCCCN3)n2)cc1Br
InChIInChI=1S/C14H14BrFN2S/c15-10-7-9(4-5-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h4-5,7-8,12,17H,1-3,6H2
InChIKeyVBRVYTSXMXWLIS-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.53
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole

4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole (PubChem CID 62913340) has the molecular formula C14H14BrFN2S and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole
PubChem CID62913340
Molecular FormulaC14H14BrFN2S
Molecular Weight341.25 g/mol
Exact Mass340.00
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESFc1ccc(-c2csc(C3CCCCN3)n2)cc1Br
InChIInChI=1S/C14H14BrFN2S/c15-10-7-9(4-5-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h4-5,7-8,12,17H,1-3,6H2
InChIKeyVBRVYTSXMXWLIS-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62539823
4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943
N,N-dimethyl-4-(2-piperidin-2-yl-1,3-thiazol-4-yl)aniline
CID 67356783
4-(5-fluoro-2-pyridinyl)-2-piperidin-2-yl-1,3-thiazole
CID 83119545
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807
4-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541762
4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
3-(3-bromo-4-fluorophenyl)-5-cyclohexyl-1H-1,2,4-triazole
CID 107954590
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 55130311

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole (CID 62913340) is 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole is Fc1ccc(-c2csc(C3CCCCN3)n2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole?
The InChIKey is VBRVYTSXMXWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2S/c15-10-7-9(4-5-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h4-5,7-8,12,17H,1-3,6H2.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole?
4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole has a molecular weight of 341.25 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 62913340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).