4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole

C17H11BrN2S — CID 1186916

IUPAC4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H11BrN2S/c18-12-7-5-11(6-8-12)16-10-21-17(20-16)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H
InChIKeyGQVATYVJIBWCMZ-UHFFFAOYSA-N
MW355.26 g/mol
LogP5.72
Rot. Bonds2

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

4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole (PubChem CID 1186916) has the molecular formula C17H11BrN2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole
PubChem CID1186916
Molecular FormulaC17H11BrN2S
Molecular Weight355.26 g/mol
Exact Mass353.98
IUPAC Name4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C17H11BrN2S/c18-12-7-5-11(6-8-12)16-10-21-17(20-16)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H
InChIKeyGQVATYVJIBWCMZ-UHFFFAOYSA-N
XLogP5.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.26
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole (CID 1186916) is 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole is Brc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
The InChIKey is GQVATYVJIBWCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2S/c18-12-7-5-11(6-8-12)16-10-21-17(20-16)14-9-19-15-4-2-1-3-13(14)15/h1-10,19H.
What are the key properties of 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole?
4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole has a molecular weight of 355.26 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 1186916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).