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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Related Compounds

5-[4-[(4-chlorophenyl)methyl]-2-pyridin-4-yl-1,3-thiazol-5-yl]-1,2-dihydropyrazol-3-one
CID 66749551
4-[(4-chlorophenyl)methyl]-5-(1-prop-2-enylimidazol-2-yl)-2-pyridin-4-yl-1,3-thiazole
CID 66749253
4-[(4-chlorophenyl)methyl]-2-(2-chloro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 86667472
2-bromo-4-[(4-chlorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66749599
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
4-chloro-2-(pyridin-4-ylmethyl)-1,3-thiazole
CID 83159119
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434
2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 116868367
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine
CID 90320724
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175

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).