methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C13H18N2O2S — CID 102626023

IUPACmethyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCCCCCc1cn2cc(C(=O)OC)sc2n1
InChIInChI=1S/C13H18N2O2S/c1-3-4-5-6-7-10-8-15-9-11(12(16)17-2)18-13(15)14-10/h8-9H,3-7H2,1-2H3
InChIKeyFBSSACZQOOHVFD-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.31
Rot. Bonds6

About methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 102626023) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID102626023
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Namemethyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCCCCCc1cn2cc(C(=O)OC)sc2n1
InChIInChI=1S/C13H18N2O2S/c1-3-4-5-6-7-10-8-15-9-11(12(16)17-2)18-13(15)14-10/h8-9H,3-7H2,1-2H3
InChIKeyFBSSACZQOOHVFD-UHFFFAOYSA-N
XLogP3.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 102626023) is methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCCCCCc1cn2cc(C(=O)OC)sc2n1.
What is the InChIKey of methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is FBSSACZQOOHVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-5-6-7-10-8-15-9-11(12(16)17-2)18-13(15)14-10/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 266.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 102626023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).