3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one

C19H13FN2O2S — CID 70896457

IUPAC3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one
SMILESCc1cn2c(C=CC(=O)c3ccco3)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C19H13FN2O2S/c1-12-11-22-15(8-9-16(23)17-3-2-10-24-17)18(21-19(22)25-12)13-4-6-14(20)7-5-13/h2-11H,1H3
InChIKeyGSYOPJKIERPDHV-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.00
Rot. Bonds4

About 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one

3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 70896457) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one
PubChem CID70896457
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one
SMILESCc1cn2c(C=CC(=O)c3ccco3)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C19H13FN2O2S/c1-12-11-22-15(8-9-16(23)17-3-2-10-24-17)18(21-19(22)25-12)13-4-6-14(20)7-5-13/h2-11H,1H3
InChIKeyGSYOPJKIERPDHV-UHFFFAOYSA-N
XLogP5.00
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one (CID 70896457) is 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one is Cc1cn2c(C=CC(=O)c3ccco3)c(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is GSYOPJKIERPDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-12-11-22-15(8-9-16(23)17-3-2-10-24-17)18(21-19(22)25-12)13-4-6-14(20)7-5-13/h2-11H,1H3.
What are the key properties of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one?
3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 352.39 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 70896457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).