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

C22H14N2O2S — CID 3808004

IUPAC2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
SMILESCc1ccc(-c2nc3sccn3c2C=C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H14N2O2S/c1-13-6-8-14(9-7-13)19-18(24-10-11-27-22(24)23-19)12-17-20(25)15-4-2-3-5-16(15)21(17)26/h2-12H,1H3
InChIKeyKGAKLZQIPOWYGI-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.83
Rot. Bonds2

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

2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione (PubChem CID 3808004) has the molecular formula C22H14N2O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
PubChem CID3808004
Molecular FormulaC22H14N2O2S
Molecular Weight370.43 g/mol
Exact Mass370.08
IUPAC Name2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione
SMILESCc1ccc(-c2nc3sccn3c2C=C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H14N2O2S/c1-13-6-8-14(9-7-13)19-18(24-10-11-27-22(24)23-19)12-17-20(25)15-4-2-3-5-16(15)21(17)26/h2-12H,1H3
InChIKeyKGAKLZQIPOWYGI-UHFFFAOYSA-N
XLogP4.83
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', '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

5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3453657
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
(3E)-1-methyl-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indol-2-one
CID 70684407
(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70694913
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
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
(E)-1-(4-methylthiophen-3-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 163359892
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione (CID 3808004) is 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione is Cc1ccc(-c2nc3sccn3c2C=C2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione?
The InChIKey is KGAKLZQIPOWYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S/c1-13-6-8-14(9-7-13)19-18(24-10-11-27-22(24)23-19)12-17-20(25)15-4-2-3-5-16(15)21(17)26/h2-12H,1H3.
What are the key properties of 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione?
2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione has a molecular weight of 370.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 3808004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).