2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C8H10N2O2S — CID 126710464

IUPAC2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC1=CN2C(C(=O)O)=C(C)NC2S1
InChIInChI=1S/C8H10N2O2S/c1-4-3-10-6(7(11)12)5(2)9-8(10)13-4/h3,8-9H,1-2H3,(H,11,12)
InChIKeyHOWCIKMRIVTFEC-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.10
Rot. Bonds1

About 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 126710464) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID126710464
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC1=CN2C(C(=O)O)=C(C)NC2S1
InChIInChI=1S/C8H10N2O2S/c1-4-3-10-6(7(11)12)5(2)9-8(10)13-4/h3,8-9H,1-2H3,(H,11,12)
InChIKeyHOWCIKMRIVTFEC-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 126710464) is 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CC1=CN2C(C(=O)O)=C(C)NC2S1.
What is the InChIKey of 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is HOWCIKMRIVTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-4-3-10-6(7(11)12)5(2)9-8(10)13-4/h3,8-9H,1-2H3,(H,11,12).
What are the key properties of 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 126710464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).