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

C14H15BrN2S — CID 2900985

IUPAC4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C14H15BrN2S/c15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyFPJVABPZQNPRLW-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.56
Rot. Bonds2

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

4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole (PubChem CID 2900985) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole
PubChem CID2900985
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C14H15BrN2S/c15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
InChIKeyFPJVABPZQNPRLW-UHFFFAOYSA-N
XLogP4.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole (CID 2900985) is 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole is Brc1ccc(-c2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is FPJVABPZQNPRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c15-12-6-4-11(5-7-12)13-10-18-14(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2.
What are the key properties of 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole?
4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 323.26 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 2900985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).