About (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
(3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (PubChem CID 168735409) has the molecular formula C21H11NO3S2
and a molecular weight of 389.46 g/mol. Its IUPAC name is (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.
Molecular Properties
| Compound Name | (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione |
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| PubChem CID | 168735409 |
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| Molecular Formula | C21H11NO3S2 |
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| Molecular Weight | 389.46 g/mol |
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| Exact Mass | 389.02 |
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| IUPAC Name | (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione |
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| SMILES | O=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)cc2s1 |
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| InChI | InChI=1S/C21H11NO3S2/c23-19-13-8-4-5-9-15(13)25-21(24)14(19)10-18-22-20-17(26-18)11-16(27-20)12-6-2-1-3-7-12/h1-11H/b14-10- |
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| InChIKey | YWCCQUSFAFUTNM-UVTDQMKNSA-N |
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| XLogP | 5.21 |
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| TPSA | 56.26 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 389.46 |
| LogP ≤ 5 | 5.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (CID 168735409) is (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)cc2s1.
What is the InChIKey of (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The InChIKey is YWCCQUSFAFUTNM-UVTDQMKNSA-N. The full InChI is InChI=1S/C21H11NO3S2/c23-19-13-8-4-5-9-15(13)25-21(24)14(19)10-18-22-20-17(26-18)11-16(27-20)12-6-2-1-3-7-12/h1-11H/b14-10-.
What are the key properties of (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
(3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is sourced from PubChem (CID 168735409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).