(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione

C20H10N2O4S — CID 168736362

IUPAC(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)nc2s1
InChIInChI=1S/C20H10N2O4S/c23-16-12-8-4-5-9-14(12)25-20(24)13(16)10-15-21-18-19(27-15)22-17(26-18)11-6-2-1-3-7-11/h1-10H/b13-10-
InChIKeyHRWWMJMUYXFPGE-RAXLEYEMSA-N
MW374.38 g/mol
LogP4.14
Rot. Bonds2

About (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione

(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione (PubChem CID 168736362) has the molecular formula C20H10N2O4S and a molecular weight of 374.38 g/mol. Its IUPAC name is (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione
PubChem CID168736362
Molecular FormulaC20H10N2O4S
Molecular Weight374.38 g/mol
Exact Mass374.04
IUPAC Name(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)nc2s1
InChIInChI=1S/C20H10N2O4S/c23-16-12-8-4-5-9-14(12)25-20(24)13(16)10-15-21-18-19(27-15)22-17(26-18)11-6-2-1-3-7-11/h1-10H/b13-10-
InChIKeyHRWWMJMUYXFPGE-RAXLEYEMSA-N
XLogP4.14
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.14
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-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione (CID 168736362) is (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)nc2s1.
What is the InChIKey of (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione?
The InChIKey is HRWWMJMUYXFPGE-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H10N2O4S/c23-16-12-8-4-5-9-14(12)25-20(24)13(16)10-15-21-18-19(27-15)22-17(26-18)11-6-2-1-3-7-11/h1-10H/b13-10-.
What are the key properties of (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione?
(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione has a molecular weight of 374.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione is sourced from PubChem (CID 168736362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).