(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one

C15H12ClNO2S2 — CID 21142725

IUPAC(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one
SMILESCC(=O)C1=C(C)N2C(=O)/C(=C/c3ccccc3Cl)SC2S1
InChIInChI=1S/C15H12ClNO2S2/c1-8-13(9(2)18)21-15-17(8)14(19)12(20-15)7-10-5-3-4-6-11(10)16/h3-7,15H,1-2H3/b12-7-
InChIKeyXQCSDEZNHROWRZ-GHXNOFRVSA-N
MW337.85 g/mol
LogP4.11
Rot. Bonds2

About (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one

(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one (PubChem CID 21142725) has the molecular formula C15H12ClNO2S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one
PubChem CID21142725
Molecular FormulaC15H12ClNO2S2
Molecular Weight337.85 g/mol
Exact Mass337.00
IUPAC Name(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one
SMILESCC(=O)C1=C(C)N2C(=O)/C(=C/c3ccccc3Cl)SC2S1
InChIInChI=1S/C15H12ClNO2S2/c1-8-13(9(2)18)21-15-17(8)14(19)12(20-15)7-10-5-3-4-6-11(10)16/h3-7,15H,1-2H3/b12-7-
InChIKeyXQCSDEZNHROWRZ-GHXNOFRVSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one (CID 21142725) is (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one is CC(=O)C1=C(C)N2C(=O)/C(=C/c3ccccc3Cl)SC2S1.
What is the InChIKey of (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one?
The InChIKey is XQCSDEZNHROWRZ-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H12ClNO2S2/c1-8-13(9(2)18)21-15-17(8)14(19)12(20-15)7-10-5-3-4-6-11(10)16/h3-7,15H,1-2H3/b12-7-.
What are the key properties of (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one?
(2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one has a molecular weight of 337.85 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3]thiazol-3-one is sourced from PubChem (CID 21142725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).