6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C11H9N3O2S — CID 82383998

IUPAC6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2scc(-c3ccc[nH]3)n2c1C(=O)O
InChIInChI=1S/C11H9N3O2S/c1-6-9(10(15)16)14-8(5-17-11(14)13-6)7-3-2-4-12-7/h2-5,12H,1H3,(H,15,16)
InChIKeyKUQHJOOIUIVJSI-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.40
Rot. Bonds2

About 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82383998) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82383998
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2scc(-c3ccc[nH]3)n2c1C(=O)O
InChIInChI=1S/C11H9N3O2S/c1-6-9(10(15)16)14-8(5-17-11(14)13-6)7-3-2-4-12-7/h2-5,12H,1H3,(H,15,16)
InChIKeyKUQHJOOIUIVJSI-UHFFFAOYSA-N
XLogP2.40
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82383998) is 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1nc2scc(-c3ccc[nH]3)n2c1C(=O)O.
What is the InChIKey of 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is KUQHJOOIUIVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-6-9(10(15)16)14-8(5-17-11(14)13-6)7-3-2-4-12-7/h2-5,12H,1H3,(H,15,16).
What are the key properties of 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1H-pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82383998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).