ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate

C19H15N3O4S — CID 122192455

IUPACethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cn12
InChIInChI=1S/C19H15N3O4S/c1-2-25-18(24)15-11-27-19-21-14(10-22(15)19)12-5-7-13(8-6-12)20-17(23)16-4-3-9-26-16/h3-11H,2H2,1H3,(H,20,23)
InChIKeyNQHGJFQVVXGMPP-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.08
Rot. Bonds5

About ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate

ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 122192455) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID122192455
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Nameethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cn12
InChIInChI=1S/C19H15N3O4S/c1-2-25-18(24)15-11-27-19-21-14(10-22(15)19)12-5-7-13(8-6-12)20-17(23)16-4-3-9-26-16/h3-11H,2H2,1H3,(H,20,23)
InChIKeyNQHGJFQVVXGMPP-UHFFFAOYSA-N
XLogP4.08
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 122192455) is ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1csc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cn12.
What is the InChIKey of ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is NQHGJFQVVXGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-2-25-18(24)15-11-27-19-21-14(10-22(15)19)12-5-7-13(8-6-12)20-17(23)16-4-3-9-26-16/h3-11H,2H2,1H3,(H,20,23).
What are the key properties of ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate?
ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 122192455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).