4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide

C13H10Br2N2S — CID 137032183

IUPAC4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
SMILESBr.Brc1cccc(-c2csc(-c3ccc[nH]3)n2)c1
InChIInChI=1S/C13H9BrN2S.BrH/c14-10-4-1-3-9(7-10)12-8-17-13(16-12)11-5-2-6-15-11;/h1-8,15H;1H
InChIKeyQUSJFTACRRQSGF-UHFFFAOYSA-N
MW386.11 g/mol
LogP5.15
Rot. Bonds2

About 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide

4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide (PubChem CID 137032183) has the molecular formula C13H10Br2N2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
PubChem CID137032183
Molecular FormulaC13H10Br2N2S
Molecular Weight386.11 g/mol
Exact Mass383.89
IUPAC Name4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
SMILESBr.Brc1cccc(-c2csc(-c3ccc[nH]3)n2)c1
InChIInChI=1S/C13H9BrN2S.BrH/c14-10-4-1-3-9(7-10)12-8-17-13(16-12)11-5-2-6-15-11;/h1-8,15H;1H
InChIKeyQUSJFTACRRQSGF-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.11
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide (CID 137032183) is 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide is Br.Brc1cccc(-c2csc(-c3ccc[nH]3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide?
The InChIKey is QUSJFTACRRQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2S.BrH/c14-10-4-1-3-9(7-10)12-8-17-13(16-12)11-5-2-6-15-11;/h1-8,15H;1H.
What are the key properties of 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide?
4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide has a molecular weight of 386.11 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 137032183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).