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

C13H10N2O3S — CID 117214703

IUPAC5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H10N2O3S/c16-12(11-10(13(17)18)14-7-19-11)15-6-5-8-3-1-2-4-9(8)15/h1-4,7H,5-6H2,(H,17,18)
InChIKeyXYVXNCBRUGLHDQ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.04
Rot. Bonds2

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

5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 117214703) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID117214703
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H10N2O3S/c16-12(11-10(13(17)18)14-7-19-11)15-6-5-8-3-1-2-4-9(8)15/h1-4,7H,5-6H2,(H,17,18)
InChIKeyXYVXNCBRUGLHDQ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid
CID 117214886
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
CID 110856972
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117218797
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 23999221

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 117214703) is 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XYVXNCBRUGLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-12(11-10(13(17)18)14-7-19-11)15-6-5-8-3-1-2-4-9(8)15/h1-4,7H,5-6H2,(H,17,18).
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).