ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate

C25H26N4O4S — CID 3235854

IUPACethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1
InChIInChI=1S/C25H26N4O4S/c1-3-33-25(31)28-12-10-18(11-13-28)26-23(30)17-6-9-21-22(14-17)34-24-27-20(15-29(21)24)16-4-7-19(32-2)8-5-16/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,26,30)
InChIKeyQEPCJCITEXINBX-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.58
Rot. Bonds5

About ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 3235854) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate
PubChem CID3235854
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Nameethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1
InChIInChI=1S/C25H26N4O4S/c1-3-33-25(31)28-12-10-18(11-13-28)26-23(30)17-6-9-21-22(14-17)34-24-27-20(15-29(21)24)16-4-7-19(32-2)8-5-16/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,26,30)
InChIKeyQEPCJCITEXINBX-UHFFFAOYSA-N
XLogP4.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate (CID 3235854) is ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1.
What is the InChIKey of ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is QEPCJCITEXINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-3-33-25(31)28-12-10-18(11-13-28)26-23(30)17-6-9-21-22(14-17)34-24-27-20(15-29(21)24)16-4-7-19(32-2)8-5-16/h4-9,14-15,18H,3,10-13H2,1-2H3,(H,26,30).
What are the key properties of ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3235854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).