[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

C42H40N6O3S2 — CID 158681387

IUPAC[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)c(C)s1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21
InChIInChI=1S/C22H21N3O2S.C20H19N3OS/c1-13-6-4-5-7-18(13)21(27)25-11-10-16-12-17(8-9-19(16)25)20-14(2)28-22(24-20)23-15(3)26;1-12-5-3-4-6-16(12)19(24)23-10-9-14-11-15(7-8-17(14)23)18-13(2)25-20(21)22-18/h4-9,12H,10-11H2,1-3H3,(H,23,24,26);3-8,11H,9-10H2,1-2H3,(H2,21,22)
InChIKeyIFEDKPKVFFOWEE-UHFFFAOYSA-N
MW740.96 g/mol
LogP8.80
Rot. Bonds5

About [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide

[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 158681387) has the molecular formula C42H40N6O3S2 and a molecular weight of 740.96 g/mol. Its IUPAC name is [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID158681387
Molecular FormulaC42H40N6O3S2
Molecular Weight740.96 g/mol
Exact Mass740.26
IUPAC Name[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)c(C)s1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21
InChIInChI=1S/C22H21N3O2S.C20H19N3OS/c1-13-6-4-5-7-18(13)21(27)25-11-10-16-12-17(8-9-19(16)25)20-14(2)28-22(24-20)23-15(3)26;1-12-5-3-4-6-16(12)19(24)23-10-9-14-11-15(7-8-17(14)23)18-13(2)25-20(21)22-18/h4-9,12H,10-11H2,1-3H3,(H,23,24,26);3-8,11H,9-10H2,1-2H3,(H2,21,22)
InChIKeyIFEDKPKVFFOWEE-UHFFFAOYSA-N
XLogP8.80
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.96
LogP ≤ 58.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide 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

N-(6-(3-(naphthalen-2-ylmethylamino)pyrrolidine-1-carbonyl)benzo[d]thiazol-2-yl)cyclohexanecarboxamide
CID 5274773
(2R)-N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide
CID 56597594
N-{4-[1-(2-Fluoro-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1383832
N-{4-[1-(4-Fluoro-benzoyl)-2,3-dihydro-1H-indol-5-yl]-5-methyl-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1383834
[5-[2-(Methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 1450301
N-{4-[1-(3-Methyl-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1450534
N-{5-Methyl-4-[1-(3-methyl-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1450536
N-{4-[1-(3-Fluoro-benzoyl)-2,3-dihydro-1H-indol-5-yl]-5-methyl-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 3231867
3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597593
N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide
CID 56598310
N-{4-[1-(2-Methyl-benzoyl)-2,3-dihydro-1H-indol-5-yl]-thiazol-2-yl}-2-pyrrolidin-1-yl-acetamide
CID 1383835
(2-Fluorophenyl)-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1450296

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide (CID 158681387) is [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2C)c(C)s1.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(N)sc3C)ccc21.
What is the InChIKey of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IFEDKPKVFFOWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S.C20H19N3OS/c1-13-6-4-5-7-18(13)21(27)25-11-10-16-12-17(8-9-19(16)25)20-14(2)28-22(24-20)23-15(3)26;1-12-5-3-4-6-16(12)19(24)23-10-9-14-11-15(7-8-17(14)23)18-13(2)25-20(21)22-18/h4-9,12H,10-11H2,1-3H3,(H,23,24,26);3-8,11H,9-10H2,1-2H3,(H2,21,22).
What are the key properties of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide?
[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 740.96 g/mol, XLogP of 8.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158681387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).