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

C21H13N3O3S — CID 168735560

IUPAC(3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
SMILESCn1c(-c2ccccc2)nc2sc(/C=C3\C(=O)Oc4ccccc4C3=O)nc21
InChIInChI=1S/C21H13N3O3S/c1-24-18(12-7-3-2-4-8-12)23-20-19(24)22-16(28-20)11-14-17(25)13-9-5-6-10-15(13)27-21(14)26/h2-11H,1H3/b14-11-
InChIKeyKKMNUOMAKUSEMC-KAMYIIQDSA-N
MW387.42 g/mol
LogP3.88
Rot. Bonds2

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

(3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (PubChem CID 168735560) has the molecular formula C21H13N3O3S and a molecular weight of 387.42 g/mol. Its IUPAC name is (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
PubChem CID168735560
Molecular FormulaC21H13N3O3S
Molecular Weight387.42 g/mol
Exact Mass387.07
IUPAC Name(3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
SMILESCn1c(-c2ccccc2)nc2sc(/C=C3\C(=O)Oc4ccccc4C3=O)nc21
InChIInChI=1S/C21H13N3O3S/c1-24-18(12-7-3-2-4-8-12)23-20-19(24)22-16(28-20)11-14-17(25)13-9-5-6-10-15(13)27-21(14)26/h2-11H,1H3/b14-11-
InChIKeyKKMNUOMAKUSEMC-KAMYIIQDSA-N
XLogP3.88
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.88
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'}

Analyze (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione (CID 168735560) is (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is Cn1c(-c2ccccc2)nc2sc(/C=C3\C(=O)Oc4ccccc4C3=O)nc21.
What is the InChIKey of (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
The InChIKey is KKMNUOMAKUSEMC-KAMYIIQDSA-N. The full InChI is InChI=1S/C21H13N3O3S/c1-24-18(12-7-3-2-4-8-12)23-20-19(24)22-16(28-20)11-14-17(25)13-9-5-6-10-15(13)27-21(14)26/h2-11H,1H3/b14-11-.
What are the key properties of (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione?
(3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione has a molecular weight of 387.42 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methyl-5-phenylimidazo[4,5-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione is sourced from PubChem (CID 168735560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).