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

C24H24N4O4S — CID 3237208

IUPACethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1
InChIInChI=1S/C24H24N4O4S/c1-3-32-24(30)27-12-10-26(11-13-27)22(29)17-6-9-20-21(14-17)33-23-25-19(15-28(20)23)16-4-7-18(31-2)8-5-16/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyJMNIMECMVSKGKS-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.14
Rot. Bonds4

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

ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate (PubChem CID 3237208) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate
PubChem CID3237208
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Nameethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1
InChIInChI=1S/C24H24N4O4S/c1-3-32-24(30)27-12-10-26(11-13-27)22(29)17-6-9-20-21(14-17)33-23-25-19(15-28(20)23)16-4-7-18(31-2)8-5-16/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyJMNIMECMVSKGKS-UHFFFAOYSA-N
XLogP4.14
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate (CID 3237208) is ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=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]piperazine-1-carboxylate?
The InChIKey is JMNIMECMVSKGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-3-32-24(30)27-12-10-26(11-13-27)22(29)17-6-9-20-21(14-17)33-23-25-19(15-28(20)23)16-4-7-18(31-2)8-5-16/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperazine-1-carboxylate has a molecular weight of 464.55 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 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]piperazine-1-carboxylate is sourced from PubChem (CID 3237208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).