1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C18H20N2O3S — CID 120691160

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-10-14(24-17(19-10)18(2,3)4)15(21)20-9-12(16(22)23)11-7-5-6-8-13(11)20/h5-8,12H,9H2,1-4H3,(H,22,23)
InChIKeySYFQPBBMCTWIPQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.58
Rot. Bonds2

About 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691160) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691160
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1nc(C(C)(C)C)sc1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-10-14(24-17(19-10)18(2,3)4)15(21)20-9-12(16(22)23)11-7-5-6-8-13(11)20/h5-8,12H,9H2,1-4H3,(H,22,23)
InChIKeySYFQPBBMCTWIPQ-UHFFFAOYSA-N
XLogP3.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid 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

(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565160
(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574107
(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564886
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574015
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469
(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 99631997
1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691663
1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564086

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691160) is 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1nc(C(C)(C)C)sc1C(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is SYFQPBBMCTWIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-10-14(24-17(19-10)18(2,3)4)15(21)20-9-12(16(22)23)11-7-5-6-8-13(11)20/h5-8,12H,9H2,1-4H3,(H,22,23).
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).