ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C16H17N3O4S2 — CID 170609694

IUPACethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(NS(C)(=O)=O)cc3)cn2c1C
InChIInChI=1S/C16H17N3O4S2/c1-4-23-15(20)14-10(2)19-9-13(17-16(19)24-14)11-5-7-12(8-6-11)18-25(3,21)22/h5-9,18H,4H2,1-3H3
InChIKeyITCAFGLUAXYVFQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.92
Rot. Bonds5

About ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 170609694) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID170609694
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Nameethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccc(NS(C)(=O)=O)cc3)cn2c1C
InChIInChI=1S/C16H17N3O4S2/c1-4-23-15(20)14-10(2)19-9-13(17-16(19)24-14)11-5-7-12(8-6-11)18-25(3,21)22/h5-9,18H,4H2,1-3H3
InChIKeyITCAFGLUAXYVFQ-UHFFFAOYSA-N
XLogP2.92
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate with MolForge

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Related Compounds

ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496961
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280
ethyl 6-[4-[(4-methylphenyl)sulfonylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192457
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81495842
ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81494571
ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496957
butyl 4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)amino]benzoate
CID 19164146
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
ethyl 4-cyano-3-[4-(methanesulfonamido)phenyl]-5-methylsulfanylthiophene-2-carboxylate
CID 68524429

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 170609694) is ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccc(NS(C)(=O)=O)cc3)cn2c1C.
What is the InChIKey of ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is ITCAFGLUAXYVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-4-23-15(20)14-10(2)19-9-13(17-16(19)24-14)11-5-7-12(8-6-11)18-25(3,21)22/h5-9,18H,4H2,1-3H3.
What are the key properties of ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 170609694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).