ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate

C17H24N2O2S — CID 118970984

IUPACethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1nc2sc3c(n2c1C)CC(C)(C)CC3(C)C
InChIInChI=1S/C17H24N2O2S/c1-7-21-14(20)12-10(2)19-11-8-16(3,4)9-17(5,6)13(11)22-15(19)18-12/h7-9H2,1-6H3
InChIKeyCIRAUJSGQPBSEB-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.13
Rot. Bonds2

About ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate

ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 118970984) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID118970984
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Nameethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1nc2sc3c(n2c1C)CC(C)(C)CC3(C)C
InChIInChI=1S/C17H24N2O2S/c1-7-21-14(20)12-10(2)19-11-8-16(3,4)9-17(5,6)13(11)22-15(19)18-12/h7-9H2,1-6H3
InChIKeyCIRAUJSGQPBSEB-UHFFFAOYSA-N
XLogP4.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 118970984) is ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is CCOC(=O)c1nc2sc3c(n2c1C)CC(C)(C)CC3(C)C.
What is the InChIKey of ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is CIRAUJSGQPBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-7-21-14(20)12-10(2)19-11-8-16(3,4)9-17(5,6)13(11)22-15(19)18-12/h7-9H2,1-6H3.
What are the key properties of ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 320.46 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 118970984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).