4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

C21H21N5S — CID 50970255

IUPAC4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2nc(CC)cs2)cn1
InChIInChI=1S/C21H21N5S/c1-3-10-26-12-17(11-23-26)21-20(16-8-6-5-7-9-16)22-15-25(21)13-19-24-18(4-2)14-27-19/h3,5-9,11-12,14-15H,1,4,10,13H2,2H3
InChIKeyGUUFOLMWZGOUDO-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.67
Rot. Bonds7

About 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 50970255) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID50970255
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2nc(CC)cs2)cn1
InChIInChI=1S/C21H21N5S/c1-3-10-26-12-17(11-23-26)21-20(16-8-6-5-7-9-16)22-15-25(21)13-19-24-18(4-2)14-27-19/h3,5-9,11-12,14-15H,1,4,10,13H2,2H3
InChIKeyGUUFOLMWZGOUDO-UHFFFAOYSA-N
XLogP4.67
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 50970255) is 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2nc(CC)cs2)cn1.
What is the InChIKey of 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is GUUFOLMWZGOUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S/c1-3-10-26-12-17(11-23-26)21-20(16-8-6-5-7-9-16)22-15-25(21)13-19-24-18(4-2)14-27-19/h3,5-9,11-12,14-15H,1,4,10,13H2,2H3.
What are the key properties of 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 375.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 50970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).