(Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid

C16H12F2N2O3S — CID 19010599

IUPAC(Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/Cc1csc2nc(-c3ccc(F)cc3F)cn12)C(=O)O
InChIInChI=1S/C16H12F2N2O3S/c1-23-7-9(15(21)22)4-11-8-24-16-19-14(6-20(11)16)12-3-2-10(17)5-13(12)18/h2-3,5-8H,4H2,1H3,(H,21,22)/b9-7-
InChIKeyHXUSIBFIGRGMKG-CLFYSBASSA-N
MW350.35 g/mol
LogP3.50
Rot. Bonds5

About (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid

(Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid (PubChem CID 19010599) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
PubChem CID19010599
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Name(Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/Cc1csc2nc(-c3ccc(F)cc3F)cn12)C(=O)O
InChIInChI=1S/C16H12F2N2O3S/c1-23-7-9(15(21)22)4-11-8-24-16-19-14(6-20(11)16)12-3-2-10(17)5-13(12)18/h2-3,5-8H,4H2,1H3,(H,21,22)/b9-7-
InChIKeyHXUSIBFIGRGMKG-CLFYSBASSA-N
XLogP3.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The IUPAC name of (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid (CID 19010599) is (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The canonical SMILES for (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid is CO/C=C(/Cc1csc2nc(-c3ccc(F)cc3F)cn12)C(=O)O.
What is the InChIKey of (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The InChIKey is HXUSIBFIGRGMKG-CLFYSBASSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-23-7-9(15(21)22)4-11-8-24-16-19-14(6-20(11)16)12-3-2-10(17)5-13(12)18/h2-3,5-8H,4H2,1H3,(H,21,22)/b9-7-.
What are the key properties of (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
(Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid has a molecular weight of 350.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 19010599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).