4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole

C26H17BrN4S — CID 137228485

IUPAC4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole
SMILESBrc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C26H17BrN4S/c27-19-12-10-18(11-13-19)24-16-32-26(29-24)31-25(14-23(30-31)17-6-2-1-3-7-17)21-15-28-22-9-5-4-8-20(21)22/h1-16,28H
InChIKeyLVEAXJUTZDJKHM-UHFFFAOYSA-N
MW497.42 g/mol
LogP7.57
Rot. Bonds4

About 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole

4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole (PubChem CID 137228485) has the molecular formula C26H17BrN4S and a molecular weight of 497.42 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole
PubChem CID137228485
Molecular FormulaC26H17BrN4S
Molecular Weight497.42 g/mol
Exact Mass496.04
IUPAC Name4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole
SMILESBrc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C26H17BrN4S/c27-19-12-10-18(11-13-19)24-16-32-26(29-24)31-25(14-23(30-31)17-6-2-1-3-7-17)21-15-28-22-9-5-4-8-20(21)22/h1-16,28H
InChIKeyLVEAXJUTZDJKHM-UHFFFAOYSA-N
XLogP7.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.42
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole (CID 137228485) is 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole is Brc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole?
The InChIKey is LVEAXJUTZDJKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN4S/c27-19-12-10-18(11-13-19)24-16-32-26(29-24)31-25(14-23(30-31)17-6-2-1-3-7-17)21-15-28-22-9-5-4-8-20(21)22/h1-16,28H.
What are the key properties of 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole?
4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole has a molecular weight of 497.42 g/mol, XLogP of 7.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(1H-indol-3-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 137228485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).