4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole

C12H11BrN2S — CID 79398878

IUPAC4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
SMILESCC1Cc2ccccc2N1c1nc(Br)cs1
InChIInChI=1S/C12H11BrN2S/c1-8-6-9-4-2-3-5-10(9)15(8)12-14-11(13)7-16-12/h2-5,7-8H,6H2,1H3
InChIKeyALFOIFKTJNOMOS-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.99
Rot. Bonds1

About 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole

4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole (PubChem CID 79398878) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
PubChem CID79398878
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Name4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
SMILESCC1Cc2ccccc2N1c1nc(Br)cs1
InChIInChI=1S/C12H11BrN2S/c1-8-6-9-4-2-3-5-10(9)15(8)12-14-11(13)7-16-12/h2-5,7-8H,6H2,1H3
InChIKeyALFOIFKTJNOMOS-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-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

4-chloro-5-(chloromethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 80687390
4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687417
7-methyl-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51727342
3-(2-methyl-2,3-dihydroindol-1-yl)quinoxalin-2-amine
CID 102985070
1-(3,6-dichloro-1,2,4-triazin-5-yl)-2-methyl-2,3-dihydroindole
CID 81037118
2-methyl-1-(3,5,6-trichloro-2-pyridinyl)-2,3-dihydroindole
CID 102749863
[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
3-[4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]propanoic acid
CID 82161972
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62299989
2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-1H-imidazol-5-amine
CID 55012468
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole (CID 79398878) is 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole is CC1Cc2ccccc2N1c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
The InChIKey is ALFOIFKTJNOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c1-8-6-9-4-2-3-5-10(9)15(8)12-14-11(13)7-16-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole?
4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole has a molecular weight of 295.21 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole is sourced from PubChem (CID 79398878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).