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

C24H24N4O3S — CID 3236504

IUPACethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C24H24N4O3S/c1-2-31-24(30)27-12-10-18(11-13-27)25-22(29)17-8-9-20-21(14-17)32-23-26-19(15-28(20)23)16-6-4-3-5-7-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,25,29)
InChIKeyUXMUAKSVPGXTKP-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.57
Rot. Bonds4

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

ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 3236504) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID3236504
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Nameethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C24H24N4O3S/c1-2-31-24(30)27-12-10-18(11-13-27)25-22(29)17-8-9-20-21(14-17)32-23-26-19(15-28(20)23)16-6-4-3-5-7-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,25,29)
InChIKeyUXMUAKSVPGXTKP-UHFFFAOYSA-N
XLogP4.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate (CID 3236504) is ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1.
What is the InChIKey of ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is UXMUAKSVPGXTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-2-31-24(30)27-12-10-18(11-13-27)25-22(29)17-8-9-20-21(14-17)32-23-26-19(15-28(20)23)16-6-4-3-5-7-16/h3-9,14-15,18H,2,10-13H2,1H3,(H,25,29).
What are the key properties of ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 448.55 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-phenylimidazo[2,1-b][1,3]benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3236504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).