(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione

C21H11NO4S — CID 168735984

IUPAC(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)cc2s1
InChIInChI=1S/C21H11NO4S/c23-19-13-8-4-5-9-15(13)26-21(24)14(19)10-18-22-20-17(27-18)11-16(25-20)12-6-2-1-3-7-12/h1-11H/b14-10-
InChIKeySIMVSXUBNFBSFE-UVTDQMKNSA-N
MW373.39 g/mol
LogP4.74
Rot. Bonds2

About (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione

(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (PubChem CID 168735984) has the molecular formula C21H11NO4S and a molecular weight of 373.39 g/mol. Its IUPAC name is (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
PubChem CID168735984
Molecular FormulaC21H11NO4S
Molecular Weight373.39 g/mol
Exact Mass373.04
IUPAC Name(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)cc2s1
InChIInChI=1S/C21H11NO4S/c23-19-13-8-4-5-9-15(13)26-21(24)14(19)10-18-22-20-17(27-18)11-16(25-20)12-6-2-1-3-7-12/h1-11H/b14-10-
InChIKeySIMVSXUBNFBSFE-UVTDQMKNSA-N
XLogP4.74
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (CID 168735984) is (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)cc2s1.
What is the InChIKey of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The InChIKey is SIMVSXUBNFBSFE-UVTDQMKNSA-N. The full InChI is InChI=1S/C21H11NO4S/c23-19-13-8-4-5-9-15(13)26-21(24)14(19)10-18-22-20-17(27-18)11-16(25-20)12-6-2-1-3-7-12/h1-11H/b14-10-.
What are the key properties of (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione has a molecular weight of 373.39 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is sourced from PubChem (CID 168735984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).