(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one

C21H16N4O2S — CID 155555561

IUPAC(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one
SMILESCOc1ccc2c(c1)/C(=C/c1c(-c3ccncc3)nc3sccn13)C(=O)N2C
InChIInChI=1S/C21H16N4O2S/c1-24-17-4-3-14(27-2)11-15(17)16(20(24)26)12-18-19(13-5-7-22-8-6-13)23-21-25(18)9-10-28-21/h3-12H,1-2H3/b16-12-
InChIKeyAFPBBZGEKPBBNP-VBKFSLOCSA-N
MW388.45 g/mol
LogP3.98
Rot. Bonds3

About (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one

(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one (PubChem CID 155555561) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one.

Molecular Properties

Compound Name(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one
PubChem CID155555561
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one
SMILESCOc1ccc2c(c1)/C(=C/c1c(-c3ccncc3)nc3sccn13)C(=O)N2C
InChIInChI=1S/C21H16N4O2S/c1-24-17-4-3-14(27-2)11-15(17)16(20(24)26)12-18-19(13-5-7-22-8-6-13)23-21-25(18)9-10-28-21/h3-12H,1-2H3/b16-12-
InChIKeyAFPBBZGEKPBBNP-VBKFSLOCSA-N
XLogP3.98
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 56963903
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70684410
N-cyclohexyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018510
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 25232166
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,4-dimethoxybenzamide
CID 7151241
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018496
N-ethyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018508
N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523664
5-Methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
CID 70692875
(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 155526721
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 6625757
3-fluoro-5-methoxy-N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 25232164

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one?
The IUPAC name of (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one (CID 155555561) is (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one.
What is the SMILES notation for (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one?
The canonical SMILES for (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one is COc1ccc2c(c1)/C(=C/c1c(-c3ccncc3)nc3sccn13)C(=O)N2C.
What is the InChIKey of (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one?
The InChIKey is AFPBBZGEKPBBNP-VBKFSLOCSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-24-17-4-3-14(27-2)11-15(17)16(20(24)26)12-18-19(13-5-7-22-8-6-13)23-21-25(18)9-10-28-21/h3-12H,1-2H3/b16-12-.
What are the key properties of (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one?
(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one has a molecular weight of 388.45 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one is sourced from PubChem (CID 155555561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).