5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole

C15H10BrClN2S — CID 66747925

IUPAC5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole
SMILESClc1ccc(Cc2nc(-c3ccncc3)sc2Br)cc1
InChIInChI=1S/C15H10BrClN2S/c16-14-13(9-10-1-3-12(17)4-2-10)19-15(20-14)11-5-7-18-8-6-11/h1-8H,9H2
InChIKeyDGFPBEFMPYIIEM-UHFFFAOYSA-N
MW365.68 g/mol
LogP5.21
Rot. Bonds3

About 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole

5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole (PubChem CID 66747925) has the molecular formula C15H10BrClN2S and a molecular weight of 365.68 g/mol. Its IUPAC name is 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole
PubChem CID66747925
Molecular FormulaC15H10BrClN2S
Molecular Weight365.68 g/mol
Exact Mass363.94
IUPAC Name5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole
SMILESClc1ccc(Cc2nc(-c3ccncc3)sc2Br)cc1
InChIInChI=1S/C15H10BrClN2S/c16-14-13(9-10-1-3-12(17)4-2-10)19-15(20-14)11-5-7-18-8-6-11/h1-8H,9H2
InChIKeyDGFPBEFMPYIIEM-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.68
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole (CID 66747925) is 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole is Clc1ccc(Cc2nc(-c3ccncc3)sc2Br)cc1.
What is the InChIKey of 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is DGFPBEFMPYIIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2S/c16-14-13(9-10-1-3-12(17)4-2-10)19-15(20-14)11-5-7-18-8-6-11/h1-8H,9H2.
What are the key properties of 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole?
5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 365.68 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 66747925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).