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

C14H15BrN2S — CID 62541961

IUPAC4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(C3CCCNC3)n2)cc1
InChIInChI=1S/C14H15BrN2S/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11/h3-6,9,11,16H,1-2,7-8H2
InChIKeyVYHSTVMNLSQBCM-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.04
Rot. Bonds2

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

4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole (PubChem CID 62541961) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
PubChem CID62541961
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(C3CCCNC3)n2)cc1
InChIInChI=1S/C14H15BrN2S/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11/h3-6,9,11,16H,1-2,7-8H2
InChIKeyVYHSTVMNLSQBCM-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
CID 62541597
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160
4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole
CID 79832012
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 55242521
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319325
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole (CID 62541961) is 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole is Brc1ccc(-c2csc(C3CCCNC3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is VYHSTVMNLSQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11/h3-6,9,11,16H,1-2,7-8H2.
What are the key properties of 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole?
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 323.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 62541961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).