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Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate

C21H19N3O4S2 — CID 122192457

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cn12
InChIInChI=1S/C21H19N3O4S2/c1-3-28-20(25)19-13-29-21-22-18(12-24(19)21)15-6-8-16(9-7-15)23-30(26,27)17-10-4-14(2)5-11-17/h4-13,23H,3H2,1-2H3
InChIKeyUXECZBHXGJEJSA-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.35
Rot. Bonds6

About Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate

Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 122192457) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound NameEthyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID122192457
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Nameethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cn12
InChIInChI=1S/C21H19N3O4S2/c1-3-28-20(25)19-13-29-21-22-18(12-24(19)21)15-6-8-16(9-7-15)23-30(26,27)17-10-4-14(2)5-11-17/h4-13,23H,3H2,1-2H3
InChIKeyUXECZBHXGJEJSA-UHFFFAOYSA-N
XLogP4.35
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 122192457) is ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1csc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cn12.
What is the InChIKey of Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is UXECZBHXGJEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-3-28-20(25)19-13-29-21-22-18(12-24(19)21)15-6-8-16(9-7-15)23-30(26,27)17-10-4-14(2)5-11-17/h4-13,23H,3H2,1-2H3.
What are the key properties of Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 122192457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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