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

C12H14N2O2S — CID 104752357

IUPAC6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C3CCCCC3)nc2s1
InChIInChI=1S/C12H14N2O2S/c15-11(16)10-7-14-6-9(13-12(14)17-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)
InChIKeyFCMRSOUSHFDGBE-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.14
Rot. Bonds2

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

6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 104752357) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID104752357
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C3CCCCC3)nc2s1
InChIInChI=1S/C12H14N2O2S/c15-11(16)10-7-14-6-9(13-12(14)17-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16)
InChIKeyFCMRSOUSHFDGBE-UHFFFAOYSA-N
XLogP3.14
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 104752357) is 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is O=C(O)c1cn2cc(C3CCCCC3)nc2s1.
What is the InChIKey of 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is FCMRSOUSHFDGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11(16)10-7-14-6-9(13-12(14)17-10)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,16).
What are the key properties of 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 104752357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).