2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C9H8N2O2S — CID 125473967

IUPAC2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESO=C(O)c1cn2cc(C3CC3)sc2n1
InChIInChI=1S/C9H8N2O2S/c12-8(13)6-3-11-4-7(5-1-2-5)14-9(11)10-6/h3-5H,1-2H2,(H,12,13)
InChIKeyLRTKGWMYWBKVDT-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.97
Rot. Bonds2

About 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 125473967) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID125473967
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESO=C(O)c1cn2cc(C3CC3)sc2n1
InChIInChI=1S/C9H8N2O2S/c12-8(13)6-3-11-4-7(5-1-2-5)14-9(11)10-6/h3-5H,1-2H2,(H,12,13)
InChIKeyLRTKGWMYWBKVDT-UHFFFAOYSA-N
XLogP1.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 125473967) is 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is O=C(O)c1cn2cc(C3CC3)sc2n1.
What is the InChIKey of 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is LRTKGWMYWBKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-8(13)6-3-11-4-7(5-1-2-5)14-9(11)10-6/h3-5H,1-2H2,(H,12,13).
What are the key properties of 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 125473967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).