4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole

C12H13BrN2S2 — CID 107354701

IUPAC4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESBrc1csc(-c2csc(C3CCNCC3)n2)c1
InChIInChI=1S/C12H13BrN2S2/c13-9-5-11(16-6-9)10-7-17-12(15-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2
InChIKeyLHZPZDWNPQEWIT-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.10
Rot. Bonds2

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

4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 107354701) has the molecular formula C12H13BrN2S2 and a molecular weight of 329.29 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID107354701
Molecular FormulaC12H13BrN2S2
Molecular Weight329.29 g/mol
Exact Mass327.97
IUPAC Name4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESBrc1csc(-c2csc(C3CCNCC3)n2)c1
InChIInChI=1S/C12H13BrN2S2/c13-9-5-11(16-6-9)10-7-17-12(15-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2
InChIKeyLHZPZDWNPQEWIT-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965509
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-(3,5-ditert-butylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 59210176
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084480
4-(furan-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 62541252
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
CID 84607127
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558221

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole (CID 107354701) is 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole is Brc1csc(-c2csc(C3CCNCC3)n2)c1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is LHZPZDWNPQEWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S2/c13-9-5-11(16-6-9)10-7-17-12(15-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2.
What are the key properties of 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 329.29 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 107354701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).