2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C13H10N2O5S — CID 116696589

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H10N2O5S/c16-11(12-15-8(6-21-12)13(17)18)14-7-1-2-9-10(5-7)20-4-3-19-9/h1-2,5-6H,3-4H2,(H,14,16)(H,17,18)
InChIKeyXODOAUGNEDKCDT-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.86
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696589) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696589
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H10N2O5S/c16-11(12-15-8(6-21-12)13(17)18)14-7-1-2-9-10(5-7)20-4-3-19-9/h1-2,5-6H,3-4H2,(H,14,16)(H,17,18)
InChIKeyXODOAUGNEDKCDT-UHFFFAOYSA-N
XLogP1.86
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696238
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619134
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807876
2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107370113
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 47220492
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696589) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XODOAUGNEDKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-11(12-15-8(6-21-12)13(17)18)14-7-1-2-9-10(5-7)20-4-3-19-9/h1-2,5-6H,3-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).