5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid

C9H9NO4S — CID 2821343

IUPAC5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)O)c2n1CCS2
InChIInChI=1S/C9H9NO4S/c1-4-5(8(11)12)6(9(13)14)7-10(4)2-3-15-7/h2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyFOBCTCMUELFDTM-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.30
Rot. Bonds2

About 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid

5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid (PubChem CID 2821343) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid.

Molecular Properties

Compound Name5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid
PubChem CID2821343
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid
SMILESCc1c(C(=O)O)c(C(=O)O)c2n1CCS2
InChIInChI=1S/C9H9NO4S/c1-4-5(8(11)12)6(9(13)14)7-10(4)2-3-15-7/h2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyFOBCTCMUELFDTM-UHFFFAOYSA-N
XLogP1.30
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid?
The IUPAC name of 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid (CID 2821343) is 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid.
What is the SMILES notation for 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid?
The canonical SMILES for 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid is Cc1c(C(=O)O)c(C(=O)O)c2n1CCS2.
What is the InChIKey of 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid?
The InChIKey is FOBCTCMUELFDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c1-4-5(8(11)12)6(9(13)14)7-10(4)2-3-15-7/h2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid?
5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid has a molecular weight of 227.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylic acid is sourced from PubChem (CID 2821343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).