5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one

C24H19N5OS — CID 5026373

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
SMILESCN(C)c1ccc(C=C2N=C(c3ccccc3)N(c3nc4ncccc4s3)C2=O)cc1
InChIInChI=1S/C24H19N5OS/c1-28(2)18-12-10-16(11-13-18)15-19-23(30)29(22(26-19)17-7-4-3-5-8-17)24-27-21-20(31-24)9-6-14-25-21/h3-15H,1-2H3
InChIKeyZFDPENMTIAXREC-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.59
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one

5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one (PubChem CID 5026373) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
PubChem CID5026373
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
SMILESCN(C)c1ccc(C=C2N=C(c3ccccc3)N(c3nc4ncccc4s3)C2=O)cc1
InChIInChI=1S/C24H19N5OS/c1-28(2)18-12-10-16(11-13-18)15-19-23(30)29(22(26-19)17-7-4-3-5-8-17)24-27-21-20(31-24)9-6-14-25-21/h3-15H,1-2H3
InChIKeyZFDPENMTIAXREC-UHFFFAOYSA-N
XLogP4.59
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3-nitrophenyl)methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
CID 26476241
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 46898573
(5E)-3-[[4,6-bis(1,3-benzothiazol-2-ylamino)-1,3,5-triazin-2-yl]amino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 6516609
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
5-benzylidene-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
CID 3777613
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 5471575
(5Z)-3-(1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 5471789
(5Z)-3-(1,3-benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 5471774
3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 3869257
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
(5E)-5-[(4-chlorophenyl)methylidene]-3-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-yl]-2-phenylimidazol-4-one
CID 10436722
(5E)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 26476277

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one (CID 5026373) is 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one is CN(C)c1ccc(C=C2N=C(c3ccccc3)N(c3nc4ncccc4s3)C2=O)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one?
The InChIKey is ZFDPENMTIAXREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-28(2)18-12-10-16(11-13-18)15-19-23(30)29(22(26-19)17-7-4-3-5-8-17)24-27-21-20(31-24)9-6-14-25-21/h3-15H,1-2H3.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one?
5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one has a molecular weight of 425.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one is sourced from PubChem (CID 5026373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).