(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione

C17H9BrN2O2S — CID 13046590

IUPAC(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
SMILESO=c1/c(=C/c2ccccc2)sc2nc3ccc(Br)cc3c(=O)n12
InChIInChI=1S/C17H9BrN2O2S/c18-11-6-7-13-12(9-11)15(21)20-16(22)14(23-17(20)19-13)8-10-4-2-1-3-5-10/h1-9H/b14-8-
InChIKeyLXSMVCBPXCNBGB-ZSOIEALJSA-N
MW385.24 g/mol
LogP2.58
Rot. Bonds1

About (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione

(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione (PubChem CID 13046590) has the molecular formula C17H9BrN2O2S and a molecular weight of 385.24 g/mol. Its IUPAC name is (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione.

Molecular Properties

Compound Name(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
PubChem CID13046590
Molecular FormulaC17H9BrN2O2S
Molecular Weight385.24 g/mol
Exact Mass383.96
IUPAC Name(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
SMILESO=c1/c(=C/c2ccccc2)sc2nc3ccc(Br)cc3c(=O)n12
InChIInChI=1S/C17H9BrN2O2S/c18-11-6-7-13-12(9-11)15(21)20-16(22)14(23-17(20)19-13)8-10-4-2-1-3-5-10/h1-9H/b14-8-
InChIKeyLXSMVCBPXCNBGB-ZSOIEALJSA-N
XLogP2.58
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione
CID 11234509
2-[(3-bromophenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2861457
2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3308816
(2Z)-2-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1220318
2-[(3-bromo-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1250170
2-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3117832
2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3550266
2-[[5-bromo-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2889590
4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
CID 92967136
(4Z)-10-bromo-4-[[4-(dimethylamino)phenyl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
CID 2257415
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1245045
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione?
The IUPAC name of (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione (CID 13046590) is (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione.
What is the SMILES notation for (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione?
The canonical SMILES for (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione is O=c1/c(=C/c2ccccc2)sc2nc3ccc(Br)cc3c(=O)n12.
What is the InChIKey of (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione?
The InChIKey is LXSMVCBPXCNBGB-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H9BrN2O2S/c18-11-6-7-13-12(9-11)15(21)20-16(22)14(23-17(20)19-13)8-10-4-2-1-3-5-10/h1-9H/b14-8-.
What are the key properties of (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione?
(2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione has a molecular weight of 385.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-7-bromo-[1,3]thiazolo[2,3-b]quinazoline-3,5-dione is sourced from PubChem (CID 13046590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).