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

C26H15N3O3S — CID 168735949

IUPAC(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C26H15N3O3S/c30-22-18-13-7-8-14-20(18)32-26(31)19(22)15-21-27-25-23(29(21)17-11-5-2-6-12-17)28-24(33-25)16-9-3-1-4-10-16/h1-15H/b19-15-
InChIKeyWFJOJCCQOIGJCU-CYVLTUHYSA-N
MW449.49 g/mol
LogP5.33
Rot. Bonds3

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

(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione (PubChem CID 168735949) has the molecular formula C26H15N3O3S and a molecular weight of 449.49 g/mol. Its IUPAC name is (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione
PubChem CID168735949
Molecular FormulaC26H15N3O3S
Molecular Weight449.49 g/mol
Exact Mass449.08
IUPAC Name(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C26H15N3O3S/c30-22-18-13-7-8-14-20(18)32-26(31)19(22)15-21-27-25-23(29(21)17-11-5-2-6-12-17)28-24(33-25)16-9-3-1-4-10-16/h1-15H/b19-15-
InChIKeyWFJOJCCQOIGJCU-CYVLTUHYSA-N
XLogP5.33
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione (CID 168735949) is (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)nc2n1-c1ccccc1.
What is the InChIKey of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione?
The InChIKey is WFJOJCCQOIGJCU-CYVLTUHYSA-N. The full InChI is InChI=1S/C26H15N3O3S/c30-22-18-13-7-8-14-20(18)32-26(31)19(22)15-21-27-25-23(29(21)17-11-5-2-6-12-17)28-24(33-25)16-9-3-1-4-10-16/h1-15H/b19-15-.
What are the key properties of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione?
(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione has a molecular weight of 449.49 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione is sourced from PubChem (CID 168735949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).