2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one

C20H19N3O2S — CID 2095664

IUPAC2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one
SMILESCc1ccc(N(CC(=O)N2CCc3ccccc32)C2=NC(=O)CS2)cc1
InChIInChI=1S/C20H19N3O2S/c1-14-6-8-16(9-7-14)23(20-21-18(24)13-26-20)12-19(25)22-11-10-15-4-2-3-5-17(15)22/h2-9H,10-13H2,1H3
InChIKeyDYBAKKQFBYANCU-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.02
Rot. Bonds3

About 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one

2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one (PubChem CID 2095664) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one
PubChem CID2095664
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one
SMILESCc1ccc(N(CC(=O)N2CCc3ccccc32)C2=NC(=O)CS2)cc1
InChIInChI=1S/C20H19N3O2S/c1-14-6-8-16(9-7-14)23(20-21-18(24)13-26-20)12-19(25)22-11-10-15-4-2-3-5-17(15)22/h2-9H,10-13H2,1H3
InChIKeyDYBAKKQFBYANCU-UHFFFAOYSA-N
XLogP3.02
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one 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

2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135516285
3-Methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4129028
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
2-sec-butyl-5-{[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)propyl]thio}imidazo[1,2-c]quinazolin-3(2H)-one
CID 50798499
(5Z)-3-allyl-2-allylimino-5-[4-(dimethylamino)benzylidene]thiazolidin-4-one
CID 1978270
N-(2,4-Dioxo-3-phenyl-thiazolidin-5-yl)-N-m-tolyl-acetamide
CID 649976
(3Z)-3-[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
CID 659003
(Z)-2-(4-(dimethylamino)benzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 2042689
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 2523532
7-(2,3-Dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2997591
2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 2997916
1-(2,3-Dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone
CID 3000164

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one?
The IUPAC name of 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one (CID 2095664) is 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one?
The canonical SMILES for 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one is Cc1ccc(N(CC(=O)N2CCc3ccccc32)C2=NC(=O)CS2)cc1.
What is the InChIKey of 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one?
The InChIKey is DYBAKKQFBYANCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-6-8-16(9-7-14)23(20-21-18(24)13-26-20)12-19(25)22-11-10-15-4-2-3-5-17(15)22/h2-9H,10-13H2,1H3.
What are the key properties of 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one?
2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 2095664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).