methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate

C12H11N3O2S2 — CID 81494568

IUPACmethyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
SMILESCOC(=O)CCc1csc2nc(-c3nccs3)cn12
InChIInChI=1S/C12H11N3O2S2/c1-17-10(16)3-2-8-7-19-12-14-9(6-15(8)12)11-13-4-5-18-11/h4-7H,2-3H2,1H3
InChIKeyRCJVJOUDMBMCES-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.62
Rot. Bonds4

About methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate

methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate (PubChem CID 81494568) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
PubChem CID81494568
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Namemethyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate
SMILESCOC(=O)CCc1csc2nc(-c3nccs3)cn12
InChIInChI=1S/C12H11N3O2S2/c1-17-10(16)3-2-8-7-19-12-14-9(6-15(8)12)11-13-4-5-18-11/h4-7H,2-3H2,1H3
InChIKeyRCJVJOUDMBMCES-UHFFFAOYSA-N
XLogP2.62
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
The IUPAC name of methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate (CID 81494568) is methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
The canonical SMILES for methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate is COC(=O)CCc1csc2nc(-c3nccs3)cn12.
What is the InChIKey of methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
The InChIKey is RCJVJOUDMBMCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-17-10(16)3-2-8-7-19-12-14-9(6-15(8)12)11-13-4-5-18-11/h4-7H,2-3H2,1H3.
What are the key properties of methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate?
methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate has a molecular weight of 293.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoate is sourced from PubChem (CID 81494568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).