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

C10H11NO4S — CID 586447

IUPAC6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid
SMILESCOC(=O)c1c(C(=O)O)c2n(c1C)CCS2
InChIInChI=1S/C10H11NO4S/c1-5-6(10(14)15-2)7(9(12)13)8-11(5)3-4-16-8/h3-4H2,1-2H3,(H,12,13)
InChIKeyUETFBXMSQAFCKB-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.39
Rot. Bonds2

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

6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid (PubChem CID 586447) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid
PubChem CID586447
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid
SMILESCOC(=O)c1c(C(=O)O)c2n(c1C)CCS2
InChIInChI=1S/C10H11NO4S/c1-5-6(10(14)15-2)7(9(12)13)8-11(5)3-4-16-8/h3-4H2,1-2H3,(H,12,13)
InChIKeyUETFBXMSQAFCKB-UHFFFAOYSA-N
XLogP1.39
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid?
The IUPAC name of 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid (CID 586447) is 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid?
The canonical SMILES for 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid is COC(=O)c1c(C(=O)O)c2n(c1C)CCS2.
What is the InChIKey of 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid?
The InChIKey is UETFBXMSQAFCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-5-6(10(14)15-2)7(9(12)13)8-11(5)3-4-16-8/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid?
6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid is sourced from PubChem (CID 586447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).