heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate

C15H22N2O2S — CID 67639380

IUPACheptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCCCCC(C)OC(=O)c1cn2c(CC)csc2n1
InChIInChI=1S/C15H22N2O2S/c1-4-6-7-8-11(3)19-14(18)13-9-17-12(5-2)10-20-15(17)16-13/h9-11H,4-8H2,1-3H3
InChIKeyJRKUTIIOBUXGAP-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.08
Rot. Bonds7

About heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate

heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 67639380) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Nameheptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID67639380
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Nameheptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCCCCC(C)OC(=O)c1cn2c(CC)csc2n1
InChIInChI=1S/C15H22N2O2S/c1-4-6-7-8-11(3)19-14(18)13-9-17-12(5-2)10-20-15(17)16-13/h9-11H,4-8H2,1-3H3
InChIKeyJRKUTIIOBUXGAP-UHFFFAOYSA-N
XLogP4.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.08
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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Related Compounds

3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 91884818
octan-2-yl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66379953
6-O-octan-2-yl 2-O-octyl pyridine-2,6-dicarboxylate
CID 91725151
6-O-octan-2-yl 2-O-tridecyl pyridine-2,6-dicarboxylate
CID 91724940
[(2S)-octan-2-yl] 2-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 139762319
octan-2-yl 1,3-thiazole-2-carboxylate
CID 174358733
didecan-2-yl benzene-1,4-dicarboxylate
CID 91724696
[(2S)-heptan-2-yl] 4-[4-[4-[(2S)-heptan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 70011621
[(2S)-octan-2-yl] 4-[4-[4-[(2R)-octan-2-yl]oxycarbonylphenyl]phenyl]benzoate
CID 7154596
[(2S)-octan-2-yl] 4-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]benzoate
CID 102491977
4-O-heptan-2-yl 1-O-tridecyl benzene-1,4-dicarboxylate
CID 91724728

Frequently Asked Questions

What is the IUPAC name of heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate (CID 67639380) is heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate is CCCCCC(C)OC(=O)c1cn2c(CC)csc2n1.
What is the InChIKey of heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is JRKUTIIOBUXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-6-7-8-11(3)19-14(18)13-9-17-12(5-2)10-20-15(17)16-13/h9-11H,4-8H2,1-3H3.
What are the key properties of heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate has a molecular weight of 294.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-yl 3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 67639380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).