2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

C18H20N4O2S — CID 22335543

IUPAC2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(-c3ccccn3)c(NC3CCCCC3)n12
InChIInChI=1S/C18H20N4O2S/c23-15(24)10-13-11-25-18-21-16(14-8-4-5-9-19-14)17(22(13)18)20-12-6-2-1-3-7-12/h4-5,8-9,11-12,20H,1-3,6-7,10H2,(H,23,24)
InChIKeyFTOROHDRSVXGPR-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.83
Rot. Bonds5

About 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 22335543) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID22335543
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(-c3ccccn3)c(NC3CCCCC3)n12
InChIInChI=1S/C18H20N4O2S/c23-15(24)10-13-11-25-18-21-16(14-8-4-5-9-19-14)17(22(13)18)20-12-6-2-1-3-7-12/h4-5,8-9,11-12,20H,1-3,6-7,10H2,(H,23,24)
InChIKeyFTOROHDRSVXGPR-UHFFFAOYSA-N
XLogP3.83
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 22335543) is 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is O=C(O)Cc1csc2nc(-c3ccccn3)c(NC3CCCCC3)n12.
What is the InChIKey of 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is FTOROHDRSVXGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-15(24)10-13-11-25-18-21-16(14-8-4-5-9-19-14)17(22(13)18)20-12-6-2-1-3-7-12/h4-5,8-9,11-12,20H,1-3,6-7,10H2,(H,23,24).
What are the key properties of 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 356.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 22335543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).