methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate

C10H12N2O2S — CID 80661808

IUPACmethyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate
SMILESCOC(=O)CCCc1csc2nccn12
InChIInChI=1S/C10H12N2O2S/c1-14-9(13)4-2-3-8-7-15-10-11-5-6-12(8)10/h5-7H,2-4H2,1H3
InChIKeyBKFUUCJGXXJLAK-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.89
Rot. Bonds4

About methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate

methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate (PubChem CID 80661808) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate
PubChem CID80661808
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Namemethyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate
SMILESCOC(=O)CCCc1csc2nccn12
InChIInChI=1S/C10H12N2O2S/c1-14-9(13)4-2-3-8-7-15-10-11-5-6-12(8)10/h5-7H,2-4H2,1H3
InChIKeyBKFUUCJGXXJLAK-UHFFFAOYSA-N
XLogP1.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate?
The IUPAC name of methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate (CID 80661808) is methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate.
What is the SMILES notation for methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate?
The canonical SMILES for methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate is COC(=O)CCCc1csc2nccn12.
What is the InChIKey of methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate?
The InChIKey is BKFUUCJGXXJLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-14-9(13)4-2-3-8-7-15-10-11-5-6-12(8)10/h5-7H,2-4H2,1H3.
What are the key properties of methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate?
methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate has a molecular weight of 224.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-imidazo[2,1-b][1,3]thiazol-3-ylbutanoate is sourced from PubChem (CID 80661808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).