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

C14H12N2O3S — CID 103790198

IUPAC1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCc1ncc(C(=O)N2CCc3cc(C(=O)O)ccc32)s1
InChIInChI=1S/C14H12N2O3S/c1-8-15-7-12(20-8)13(17)16-5-4-9-6-10(14(18)19)2-3-11(9)16/h2-3,6-7H,4-5H2,1H3,(H,18,19)
InChIKeyYNSWSTWUQCGYEO-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.35
Rot. Bonds2

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

1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 103790198) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID103790198
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESCc1ncc(C(=O)N2CCc3cc(C(=O)O)ccc32)s1
InChIInChI=1S/C14H12N2O3S/c1-8-15-7-12(20-8)13(17)16-5-4-9-6-10(14(18)19)2-3-11(9)16/h2-3,6-7H,4-5H2,1H3,(H,18,19)
InChIKeyYNSWSTWUQCGYEO-UHFFFAOYSA-N
XLogP2.35
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
1-(2-chloropyridine-3-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349346
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 94820501
1-(6-fluoropyridine-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115496318
1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325451
1-(thiomorpholine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61200335

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid (CID 103790198) is 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid is Cc1ncc(C(=O)N2CCc3cc(C(=O)O)ccc32)s1.
What is the InChIKey of 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is YNSWSTWUQCGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-15-7-12(20-8)13(17)16-5-4-9-6-10(14(18)19)2-3-11(9)16/h2-3,6-7H,4-5H2,1H3,(H,18,19).
What are the key properties of 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazole-5-carbonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 103790198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).