(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one

C19H16N2O3S — CID 25334403

IUPAC(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one
SMILESCOc1cccc2cc(C(=O)/C=C/c3c(C)nc4sc(C)cn34)oc12
InChIInChI=1S/C19H16N2O3S/c1-11-10-21-14(12(2)20-19(21)25-11)7-8-15(22)17-9-13-5-4-6-16(23-3)18(13)24-17/h4-10H,1-3H3/b8-7+
InChIKeyMFDJQYIQBUDKFP-BQYQJAHWSA-N
MW352.42 g/mol
LogP4.66
Rot. Bonds4

About (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one (PubChem CID 25334403) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one
PubChem CID25334403
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one
SMILESCOc1cccc2cc(C(=O)/C=C/c3c(C)nc4sc(C)cn34)oc12
InChIInChI=1S/C19H16N2O3S/c1-11-10-21-14(12(2)20-19(21)25-11)7-8-15(22)17-9-13-5-4-6-16(23-3)18(13)24-17/h4-10H,1-3H3/b8-7+
InChIKeyMFDJQYIQBUDKFP-BQYQJAHWSA-N
XLogP4.66
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one (CID 25334403) is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one is COc1cccc2cc(C(=O)/C=C/c3c(C)nc4sc(C)cn34)oc12.
What is the InChIKey of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one?
The InChIKey is MFDJQYIQBUDKFP-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-10-21-14(12(2)20-19(21)25-11)7-8-15(22)17-9-13-5-4-6-16(23-3)18(13)24-17/h4-10H,1-3H3/b8-7+.
What are the key properties of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one?
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one has a molecular weight of 352.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 25334403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).