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

C20H10N2O3S2 — CID 168735865

IUPAC(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)nc2s1
InChIInChI=1S/C20H10N2O3S2/c23-16-12-8-4-5-9-14(12)25-20(24)13(16)10-15-21-18-19(26-15)22-17(27-18)11-6-2-1-3-7-11/h1-10H/b13-10-
InChIKeyVIVJRKAOGQMTDQ-RAXLEYEMSA-N
MW390.45 g/mol
LogP4.61
Rot. Bonds2

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

(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (PubChem CID 168735865) has the molecular formula C20H10N2O3S2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
PubChem CID168735865
Molecular FormulaC20H10N2O3S2
Molecular Weight390.45 g/mol
Exact Mass390.01
IUPAC Name(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)nc2s1
InChIInChI=1S/C20H10N2O3S2/c23-16-12-8-4-5-9-14(12)25-20(24)13(16)10-15-21-18-19(26-15)22-17(27-18)11-6-2-1-3-7-11/h1-10H/b13-10-
InChIKeyVIVJRKAOGQMTDQ-RAXLEYEMSA-N
XLogP4.61
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.61
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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Related Compounds

Phenyl 4-[5-(4-phenoxycarbonylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]benzoate
CID 57745614
[4-[5-(4-Benzoyloxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl] benzoate
CID 57745631
(3Z)-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethylidene]chromene-2,4-dione
CID 58460097
[4-[5-[4-(Cyclohexa-1,3-diene-1-carbonyloxy)phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]cyclohexa-1,3-dien-1-yl] cyclohexa-1,3-diene-1-carboxylate
CID 89205227
(3Z)-3-[(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
CID 168735409
(3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
CID 168735560
(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-2-yl)methylidene]chromene-2,4-dione
CID 168735812
(3Z)-3-[(5-phenylfuro[2,3-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
CID 168735984
(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
CID 168736120
(3Z)-3-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]chromene-2,4-dione
CID 168736362
[4-[5-[4-(4-Methylbenzoyl)oxyphenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl] 4-methylbenzoate
CID 168764532
(3Z)-3-[(2-phenylthieno[2,3-d][1,3]thiazol-5-yl)methylidene]chromene-2,4-dione
CID 169798466

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (CID 168735865) is (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/c1nc2sc(-c3ccccc3)nc2s1.
What is the InChIKey of (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The InChIKey is VIVJRKAOGQMTDQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H10N2O3S2/c23-16-12-8-4-5-9-14(12)25-20(24)13(16)10-15-21-18-19(26-15)22-17(27-18)11-6-2-1-3-7-11/h1-10H/b13-10-.
What are the key properties of (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione has a molecular weight of 390.45 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is sourced from PubChem (CID 168735865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).