5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione

C17H12N4O3S — CID 3453657

IUPAC5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(-c2nc3sccn3c2C=C2C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H12N4O3S/c1-9-2-4-10(5-3-9)13-12(21-6-7-25-17(21)18-13)8-11-14(22)19-16(24)20-15(11)23/h2-8H,1H3,(H2,19,20,22,23,24)
InChIKeyFMPVOIJXIQVLPA-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.12
Rot. Bonds2

About 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 3453657) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID3453657
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC Name5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(-c2nc3sccn3c2C=C2C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C17H12N4O3S/c1-9-2-4-10(5-3-9)13-12(21-6-7-25-17(21)18-13)8-11-14(22)19-16(24)20-15(11)23/h2-8H,1H3,(H2,19,20,22,23,24)
InChIKeyFMPVOIJXIQVLPA-UHFFFAOYSA-N
XLogP2.12
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
CID 3808004
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70694913
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635630
6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one
CID 69179976
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 3453657) is 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione is Cc1ccc(-c2nc3sccn3c2C=C2C(=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is FMPVOIJXIQVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c1-9-2-4-10(5-3-9)13-12(21-6-7-25-17(21)18-13)8-11-14(22)19-16(24)20-15(11)23/h2-8H,1H3,(H2,19,20,22,23,24).
What are the key properties of 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 352.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3453657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).