2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol

C20H21N5O3S — CID 59011532

IUPAC2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCCOCCO)n2)c1
InChIInChI=1S/C20H21N5O3S/c1-27-15-4-2-3-14(13-15)17-18(25-8-12-29-20(25)24-17)16-5-6-21-19(23-16)22-7-10-28-11-9-26/h2-6,8,12-13,26H,7,9-11H2,1H3,(H,21,22,23)
InChIKeyQZEISOPBFDGXMJ-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.95
Rot. Bonds9

About 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol

2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol (PubChem CID 59011532) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
PubChem CID59011532
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCCOCCO)n2)c1
InChIInChI=1S/C20H21N5O3S/c1-27-15-4-2-3-14(13-15)17-18(25-8-12-29-20(25)24-17)16-5-6-21-19(23-16)22-7-10-28-11-9-26/h2-6,8,12-13,26H,7,9-11H2,1H3,(H,21,22,23)
InChIKeyQZEISOPBFDGXMJ-UHFFFAOYSA-N
XLogP2.95
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol (CID 59011532) is 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol is COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCOCCO)n2)c1.
What is the InChIKey of 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
The InChIKey is QZEISOPBFDGXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-27-15-4-2-3-14(13-15)17-18(25-8-12-29-20(25)24-17)16-5-6-21-19(23-16)22-7-10-28-11-9-26/h2-6,8,12-13,26H,7,9-11H2,1H3,(H,21,22,23).
What are the key properties of 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol has a molecular weight of 411.49 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 59011532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).