(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

C20H19N5OS — CID 24617864

IUPAC(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NCc3cnn(-c4ccccc4)c3)c(C)nc2s1
InChIInChI=1S/C20H19N5OS/c1-14-12-24-18(15(2)23-20(24)27-14)8-9-19(26)21-10-16-11-22-25(13-16)17-6-4-3-5-7-17/h3-9,11-13H,10H2,1-2H3,(H,21,26)/b9-8+
InChIKeyMTHKJVWUNVRKLM-CMDGGOBGSA-N
MW377.47 g/mol
LogP3.53
Rot. Bonds5

About (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 24617864) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID24617864
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCc1cn2c(/C=C/C(=O)NCc3cnn(-c4ccccc4)c3)c(C)nc2s1
InChIInChI=1S/C20H19N5OS/c1-14-12-24-18(15(2)23-20(24)27-14)8-9-19(26)21-10-16-11-22-25(13-16)17-6-4-3-5-7-17/h3-9,11-13H,10H2,1-2H3,(H,21,26)/b9-8+
InChIKeyMTHKJVWUNVRKLM-CMDGGOBGSA-N
XLogP3.53
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.53
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)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
CID 24559514
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24613297
(E)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 75363591
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
(E)-N-[3-(benzimidazol-1-yl)propyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 25358407
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]prop-1-enyl]benzamide
CID 92851724
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 42033430
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 33305743
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617872
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 75895788

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide (CID 24617864) is (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide is Cc1cn2c(/C=C/C(=O)NCc3cnn(-c4ccccc4)c3)c(C)nc2s1.
What is the InChIKey of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is MTHKJVWUNVRKLM-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-14-12-24-18(15(2)23-20(24)27-14)8-9-19(26)21-10-16-11-22-25(13-16)17-6-4-3-5-7-17/h3-9,11-13H,10H2,1-2H3,(H,21,26)/b9-8+.
What are the key properties of (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide?
(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 377.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 24617864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).