2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid

C14H18N2O2S — CID 139947451

IUPAC2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
SMILESCc1nc2scc(CC(=O)O)n2c1C1CCCCC1
InChIInChI=1S/C14H18N2O2S/c1-9-13(10-5-3-2-4-6-10)16-11(7-12(17)18)8-19-14(16)15-9/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyCYYLDWVHVBHUKO-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.38
Rot. Bonds3

About 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid

2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid (PubChem CID 139947451) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
PubChem CID139947451
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
SMILESCc1nc2scc(CC(=O)O)n2c1C1CCCCC1
InChIInChI=1S/C14H18N2O2S/c1-9-13(10-5-3-2-4-6-10)16-11(7-12(17)18)8-19-14(16)15-9/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyCYYLDWVHVBHUKO-UHFFFAOYSA-N
XLogP3.38
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-fluoroacetic acid
CID 84020496
2-[6-Cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 22335589
2-(6-Tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetic acid
CID 82035191
2-(5-Thia-2,7-diazatricyclo[6.5.0.02,6]trideca-1(8),3,6-trien-3-yl)acetic acid
CID 43464882
2-(7-Methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
CID 43464883
2-[7-(2-Methylbutan-2-yl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]acetic acid
CID 43464887
2-(6-Ethyl-5-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
CID 43464889
2-(5-Thia-2,7-diazatricyclo[6.6.0.02,6]tetradeca-1(8),3,6-trien-3-yl)acetic acid
CID 43464891
2-(7-Ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
CID 43464896
2-(7-Tert-butyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
CID 43464897
2-(9-Thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-trien-11-yl)acetic acid
CID 43464928
2-(5-Ethyl-6-propylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
CID 43464930

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
The IUPAC name of 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid (CID 139947451) is 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid is Cc1nc2scc(CC(=O)O)n2c1C1CCCCC1.
What is the InChIKey of 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
The InChIKey is CYYLDWVHVBHUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-13(10-5-3-2-4-6-10)16-11(7-12(17)18)8-19-14(16)15-9/h8,10H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid?
2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid has a molecular weight of 278.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid is sourced from PubChem (CID 139947451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).