(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C19H17BrN2OS — CID 46236931

IUPAC(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17BrN2OS/c1-13(2)21-19-22(16-6-4-3-5-7-16)18(23)17(24-19)12-14-8-10-15(20)11-9-14/h3-13H,1-2H3/b17-12-,21-19-
InChIKeyVDIGIRMUWSICSH-WJCPARMISA-N
MW401.33 g/mol
LogP5.33
Rot. Bonds3

About (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46236931) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46236931
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC Name(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H17BrN2OS/c1-13(2)21-19-22(16-6-4-3-5-7-16)18(23)17(24-19)12-14-8-10-15(20)11-9-14/h3-13H,1-2H3/b17-12-,21-19-
InChIKeyVDIGIRMUWSICSH-WJCPARMISA-N
XLogP5.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 75181878
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46237048
(5Z)-5-[[3-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46237177
3-[[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846546
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236404
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
5-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 3260722
(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 6089911
(5Z)-3-phenyl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1390291
(5E)-3-phenyl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1390290
3-phenyl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2787970
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(3-chloro-4-methylphenyl)-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236523

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46236931) is (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is VDIGIRMUWSICSH-WJCPARMISA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-13(2)21-19-22(16-6-4-3-5-7-16)18(23)17(24-19)12-14-8-10-15(20)11-9-14/h3-13H,1-2H3/b17-12-,21-19-.
What are the key properties of (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 401.33 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).