5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid

C15H13NO4S — CID 1472063

IUPAC5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1
InChIInChI=1S/C15H13NO4S/c1-8-2-4-9(5-3-8)13-12(15(19)20)11(14(17)18)10-6-21-7-16(10)13/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNCAYSKKPHVQSBS-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.06
Rot. Bonds3

About 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid

5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid (PubChem CID 1472063) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
PubChem CID1472063
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1
InChIInChI=1S/C15H13NO4S/c1-8-2-4-9(5-3-8)13-12(15(19)20)11(14(17)18)10-6-21-7-16(10)13/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNCAYSKKPHVQSBS-UHFFFAOYSA-N
XLogP3.06
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid (CID 1472063) is 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid is Cc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CSC3)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid?
The InChIKey is NCAYSKKPHVQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-8-2-4-9(5-3-8)13-12(15(19)20)11(14(17)18)10-6-21-7-16(10)13/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid?
5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid is sourced from PubChem (CID 1472063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).