2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C6H6N2O2S — CID 45082749

IUPAC2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2n1CCS2
InChIInChI=1S/C6H6N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h3H,1-2H2,(H,9,10)
InChIKeyJECVWJUSYJVNEL-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.69
Rot. Bonds1

About 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 45082749) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID45082749
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2n1CCS2
InChIInChI=1S/C6H6N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h3H,1-2H2,(H,9,10)
InChIKeyJECVWJUSYJVNEL-UHFFFAOYSA-N
XLogP0.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 45082749) is 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1cnc2n1CCS2.
What is the InChIKey of 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is JECVWJUSYJVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h3H,1-2H2,(H,9,10).
What are the key properties of 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 170.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 45082749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).