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

C14H9BrN2S — CID 738484

IUPAC4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H9BrN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H
InChIKeyJXYYWKQVSFCDLO-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.63
Rot. Bonds2

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

4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 738484) has the molecular formula C14H9BrN2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID738484
Molecular FormulaC14H9BrN2S
Molecular Weight317.21 g/mol
Exact Mass315.97
IUPAC Name4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H9BrN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H
InChIKeyJXYYWKQVSFCDLO-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.63
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-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole (CID 738484) is 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole is Brc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is JXYYWKQVSFCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H.
What are the key properties of 4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole?
4-(4-bromophenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 317.21 g/mol, XLogP of 4.63, 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-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 738484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).