(E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide

C21H15F2N3O2S — CID 34075971

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc1F
InChIInChI=1S/C21H15F2N3O2S/c1-28-17-8-2-13(12-16(17)23)3-9-18(27)24-20-19(14-4-6-15(22)7-5-14)25-21-26(20)10-11-29-21/h2-12H,1H3,(H,24,27)/b9-3+
InChIKeyRINRNWBOMOBZAN-YCRREMRBSA-N
MW411.43 g/mol
LogP5.00
Rot. Bonds5

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide (PubChem CID 34075971) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
PubChem CID34075971
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc1F
InChIInChI=1S/C21H15F2N3O2S/c1-28-17-8-2-13(12-16(17)23)3-9-18(27)24-20-19(14-4-6-15(22)7-5-14)25-21-26(20)10-11-29-21/h2-12H,1H3,(H,24,27)/b9-3+
InChIKeyRINRNWBOMOBZAN-YCRREMRBSA-N
XLogP5.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide
CID 55382604
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
(E)-3-(3,4-dimethoxyphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
CID 8800810
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 8511397
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
3-(3-fluoro-4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 73423480
(E)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 19211742
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914
4-fluoro-N-[2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]ethyl]benzamide
CID 103598424
3-(3-fluoro-4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 103598210

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide (CID 34075971) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
The InChIKey is RINRNWBOMOBZAN-YCRREMRBSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c1-28-17-8-2-13(12-16(17)23)3-9-18(27)24-20-19(14-4-6-15(22)7-5-14)25-21-26(20)10-11-29-21/h2-12H,1H3,(H,24,27)/b9-3+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide has a molecular weight of 411.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 34075971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).