5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole

C12H9BrN2S — CID 116619558

IUPAC5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
SMILESBrc1ccc2c(ccn2Cc2cncs2)c1
InChIInChI=1S/C12H9BrN2S/c13-10-1-2-12-9(5-10)3-4-15(12)7-11-6-14-8-16-11/h1-6,8H,7H2
InChIKeyYJSWAEFFXFWDNW-UHFFFAOYSA-N
MW293.19 g/mol
LogP3.91
Rot. Bonds2

About 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole

5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole (PubChem CID 116619558) has the molecular formula C12H9BrN2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
PubChem CID116619558
Molecular FormulaC12H9BrN2S
Molecular Weight293.19 g/mol
Exact Mass291.97
IUPAC Name5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
SMILESBrc1ccc2c(ccn2Cc2cncs2)c1
InChIInChI=1S/C12H9BrN2S/c13-10-1-2-12-9(5-10)3-4-15(12)7-11-6-14-8-16-11/h1-6,8H,7H2
InChIKeyYJSWAEFFXFWDNW-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole (CID 116619558) is 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole is Brc1ccc2c(ccn2Cc2cncs2)c1.
What is the InChIKey of 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole?
The InChIKey is YJSWAEFFXFWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2S/c13-10-1-2-12-9(5-10)3-4-15(12)7-11-6-14-8-16-11/h1-6,8H,7H2.
What are the key properties of 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole?
5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole has a molecular weight of 293.19 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 116619558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).