(5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C14H9ClN2O3S2 — CID 1490878

IUPAC(5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(OCc3cnc(Cl)s3)cc2)S1
InChIInChI=1S/C14H9ClN2O3S2/c15-13-16-6-10(21-13)7-20-9-3-1-8(2-4-9)5-11-12(18)17-14(19)22-11/h1-6H,7H2,(H,17,18,19)/b11-5+
InChIKeyUVSWVBYVDOXGHP-VZUCSPMQSA-N
MW352.82 g/mol
LogP3.70
Rot. Bonds4

About (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1490878) has the molecular formula C14H9ClN2O3S2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1490878
Molecular FormulaC14H9ClN2O3S2
Molecular Weight352.82 g/mol
Exact Mass351.97
IUPAC Name(5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(OCc3cnc(Cl)s3)cc2)S1
InChIInChI=1S/C14H9ClN2O3S2/c15-13-16-6-10(21-13)7-20-9-3-1-8(2-4-9)5-11-12(18)17-14(19)22-11/h1-6H,7H2,(H,17,18,19)/b11-5+
InChIKeyUVSWVBYVDOXGHP-VZUCSPMQSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 1490878) is (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(OCc3cnc(Cl)s3)cc2)S1.
What is the InChIKey of (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UVSWVBYVDOXGHP-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H9ClN2O3S2/c15-13-16-6-10(21-13)7-20-9-3-1-8(2-4-9)5-11-12(18)17-14(19)22-11/h1-6H,7H2,(H,17,18,19)/b11-5+.
What are the key properties of (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 352.82 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1490878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).