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

C23H17N5OS — CID 46635889

IUPAC(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H17N5OS/c29-22(11-6-17-14-24-28(15-17)20-4-2-1-3-5-20)25-19-9-7-18(8-10-19)21-16-27-12-13-30-23(27)26-21/h1-16H,(H,25,29)/b11-6+
InChIKeyNLKZNCAXYYIHPA-IZZDOVSWSA-N
MW411.49 g/mol
LogP4.90
Rot. Bonds5

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

(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 46635889) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID46635889
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H17N5OS/c29-22(11-6-17-14-24-28(15-17)20-4-2-1-3-5-20)25-19-9-7-18(8-10-19)21-16-27-12-13-30-23(27)26-21/h1-16H,(H,25,29)/b11-6+
InChIKeyNLKZNCAXYYIHPA-IZZDOVSWSA-N
XLogP4.90
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 40722991
(E)-3-(3,4-dimethoxyphenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
CID 8800810
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
3-(furan-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)prop-2-enamide
CID 4813474
ethyl (E)-3-[4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]prop-2-enoate
CID 27902755
(E)-3-(1-phenylpyrazol-4-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55560332
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
(E)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55864211
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
(E)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414815
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 46635889) is (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is NLKZNCAXYYIHPA-IZZDOVSWSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-22(11-6-17-14-24-28(15-17)20-4-2-1-3-5-20)25-19-9-7-18(8-10-19)21-16-27-12-13-30-23(27)26-21/h1-16H,(H,25,29)/b11-6+.
What are the key properties of (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 411.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 46635889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).