1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C13H10N2O3S — CID 55145615

IUPAC1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1cscn1
InChIInChI=1S/C13H10N2O3S/c16-12(9-6-19-7-14-9)15-10-4-2-1-3-8(10)5-11(15)13(17)18/h1-4,6-7,11H,5H2,(H,17,18)
InChIKeySGTJOIYPCTXBEP-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.80
Rot. Bonds2

About 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 55145615) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID55145615
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1cscn1
InChIInChI=1S/C13H10N2O3S/c16-12(9-6-19-7-14-9)15-10-4-2-1-3-8(10)5-11(15)13(17)18/h1-4,6-7,11H,5H2,(H,17,18)
InChIKeySGTJOIYPCTXBEP-UHFFFAOYSA-N
XLogP1.80
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 112728200
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66376509
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103399961
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 55145615) is 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)c1cscn1.
What is the InChIKey of 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is SGTJOIYPCTXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-12(9-6-19-7-14-9)15-10-4-2-1-3-8(10)5-11(15)13(17)18/h1-4,6-7,11H,5H2,(H,17,18).
What are the key properties of 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 55145615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).