methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate

C17H23N3O3S — CID 75497441

IUPACmethyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CCN(Cc2c(C3CC3)nc3sccn23)CC1
InChIInChI=1S/C17H23N3O3S/c1-23-16(22)15(21)12-4-6-19(7-5-12)10-13-14(11-2-3-11)18-17-20(13)8-9-24-17/h8-9,11-12,15,21H,2-7,10H2,1H3
InChIKeyWOOXWKJXMAFPGH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.02
Rot. Bonds5

About methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate

methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate (PubChem CID 75497441) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
PubChem CID75497441
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Namemethyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CCN(Cc2c(C3CC3)nc3sccn23)CC1
InChIInChI=1S/C17H23N3O3S/c1-23-16(22)15(21)12-4-6-19(7-5-12)10-13-14(11-2-3-11)18-17-20(13)8-9-24-17/h8-9,11-12,15,21H,2-7,10H2,1H3
InChIKeyWOOXWKJXMAFPGH-UHFFFAOYSA-N
XLogP2.02
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate (CID 75497441) is methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate is COC(=O)C(O)C1CCN(Cc2c(C3CC3)nc3sccn23)CC1.
What is the InChIKey of methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
The InChIKey is WOOXWKJXMAFPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-23-16(22)15(21)12-4-6-19(7-5-12)10-13-14(11-2-3-11)18-17-20(13)8-9-24-17/h8-9,11-12,15,21H,2-7,10H2,1H3.
What are the key properties of methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate?
methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate has a molecular weight of 349.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 75497441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).