3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide

C18H13N3O2S — CID 4813474

IUPAC3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C18H13N3O2S/c22-17(8-7-15-2-1-10-23-15)19-14-5-3-13(4-6-14)16-12-21-9-11-24-18(21)20-16/h1-12H,(H,19,22)
InChIKeyWVJQDNIKAOSLIX-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.31
Rot. Bonds4

About 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide

3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide (PubChem CID 4813474) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
PubChem CID4813474
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C18H13N3O2S/c22-17(8-7-15-2-1-10-23-15)19-14-5-3-13(4-6-14)16-12-21-9-11-24-18(21)20-16/h1-12H,(H,19,22)
InChIKeyWVJQDNIKAOSLIX-UHFFFAOYSA-N
XLogP4.31
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.31
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)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26175588
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 876030
(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46635889
(E)-3-(3,4-dimethoxyphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
CID 8800810
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
CID 52904235

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide (CID 4813474) is 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide?
The InChIKey is WVJQDNIKAOSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-17(8-7-15-2-1-10-23-15)19-14-5-3-13(4-6-14)16-12-21-9-11-24-18(21)20-16/h1-12H,(H,19,22).
What are the key properties of 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide?
3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide has a molecular weight of 335.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide is sourced from PubChem (CID 4813474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).