(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C12H9N3O3S — CID 124575454

IUPAC(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cnsn2)c2ccccc21
InChIInChI=1S/C12H9N3O3S/c16-11(9-5-13-19-14-9)15-6-8(12(17)18)7-3-1-2-4-10(7)15/h1-5,8H,6H2,(H,17,18)/t8-/m0/s1
InChIKeyUMMJINRWMRSBII-QMMMGPOBSA-N
MW275.29 g/mol
LogP1.37
Rot. Bonds2

About (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 124575454) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID124575454
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cnsn2)c2ccccc21
InChIInChI=1S/C12H9N3O3S/c16-11(9-5-13-19-14-9)15-6-8(12(17)18)7-3-1-2-4-10(7)15/h1-5,8H,6H2,(H,17,18)/t8-/m0/s1
InChIKeyUMMJINRWMRSBII-QMMMGPOBSA-N
XLogP1.37
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyridine-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80562800
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 104669848
1-(1-methylimidazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107971594
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-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574015
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327
1-(4-iodobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564506
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
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 124575454) is (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2cnsn2)c2ccccc21.
What is the InChIKey of (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is UMMJINRWMRSBII-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-11(9-5-13-19-14-9)15-6-8(12(17)18)7-3-1-2-4-10(7)15/h1-5,8H,6H2,(H,17,18)/t8-/m0/s1.
What are the key properties of (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
(3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 124575454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).