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

C16H21N3O3S — CID 75471919

IUPACmethyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2c(C3CC3)nc3sccn23)CCO1
InChIInChI=1S/C16H21N3O3S/c1-21-14(20)8-12-9-18(4-6-22-12)10-13-15(11-2-3-11)17-16-19(13)5-7-23-16/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeySZXFQXNDKNKXHH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.04
Rot. Bonds5

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

methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate (PubChem CID 75471919) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate
PubChem CID75471919
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2c(C3CC3)nc3sccn23)CCO1
InChIInChI=1S/C16H21N3O3S/c1-21-14(20)8-12-9-18(4-6-22-12)10-13-15(11-2-3-11)17-16-19(13)5-7-23-16/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeySZXFQXNDKNKXHH-UHFFFAOYSA-N
XLogP2.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate (CID 75471919) is methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2c(C3CC3)nc3sccn23)CCO1.
What is the InChIKey of methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate?
The InChIKey is SZXFQXNDKNKXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-21-14(20)8-12-9-18(4-6-22-12)10-13-15(11-2-3-11)17-16-19(13)5-7-23-16/h5,7,11-12H,2-4,6,8-10H2,1H3.
What are the key properties of methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate has a molecular weight of 335.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 75471919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).