6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C14H10BrN3S — CID 116619522

IUPAC6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc2c(ccn2Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H10BrN3S/c15-11-1-2-13-10(7-11)3-4-17(13)8-12-9-18-5-6-19-14(18)16-12/h1-7,9H,8H2
InChIKeyQNLZTNKYRKHQLZ-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.16
Rot. Bonds2

About 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 116619522) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID116619522
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC Name6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1ccc2c(ccn2Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H10BrN3S/c15-11-1-2-13-10(7-11)3-4-17(13)8-12-9-18-5-6-19-14(18)16-12/h1-7,9H,8H2
InChIKeyQNLZTNKYRKHQLZ-UHFFFAOYSA-N
XLogP4.16
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
CID 78942968
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indol-6-yl]methanamine
CID 115334616
6-[(5-bromo-2-fluorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 114672715
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699
6-[(2,3,4-trimethylpyrrol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334565
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
1-(2-amino-5-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 82704079
1-(4-bromo-2-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 114906198
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 116619522) is 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is Brc1ccc2c(ccn2Cc2cn3ccsc3n2)c1.
What is the InChIKey of 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is QNLZTNKYRKHQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-11-1-2-13-10(7-11)3-4-17(13)8-12-9-18-5-6-19-14(18)16-12/h1-7,9H,8H2.
What are the key properties of 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 332.23 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 116619522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).