(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone

C19H16BrN3O2S — CID 133159084

IUPAC(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2c3ccc(Br)cc3CC2C)cc1
InChIInChI=1S/C19H16BrN3O2S/c1-11-9-13-10-14(20)5-8-16(13)23(11)19(24)18-17(21-22-26-18)12-3-6-15(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3
InChIKeyWUYLEPBVXMKGNH-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.57
Rot. Bonds3

About (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone

(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone (PubChem CID 133159084) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone
PubChem CID133159084
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC Name(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2c3ccc(Br)cc3CC2C)cc1
InChIInChI=1S/C19H16BrN3O2S/c1-11-9-13-10-14(20)5-8-16(13)23(11)19(24)18-17(21-22-26-18)12-3-6-15(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3
InChIKeyWUYLEPBVXMKGNH-UHFFFAOYSA-N
XLogP4.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone 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-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100774869
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
CID 110295479
[4-(4-bromophenyl)thiadiazol-5-yl]-piperidin-1-ylmethanone
CID 100751028
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 55915411
[4-(4-bromophenyl)thiadiazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 100751150
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
2-(4-methoxyphenyl)-N-[5-methyl-4-[2-methyl-1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448485

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone?
The IUPAC name of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone (CID 133159084) is (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone.
What is the SMILES notation for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone?
The canonical SMILES for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone is COc1ccc(-c2nnsc2C(=O)N2c3ccc(Br)cc3CC2C)cc1.
What is the InChIKey of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone?
The InChIKey is WUYLEPBVXMKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c1-11-9-13-10-14(20)5-8-16(13)23(11)19(24)18-17(21-22-26-18)12-3-6-15(25-2)7-4-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone?
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone has a molecular weight of 430.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[4-(4-methoxyphenyl)thiadiazol-5-yl]methanone is sourced from PubChem (CID 133159084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).