(2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C18H10BrN3O2S — CID 2187715

IUPAC(2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2s/c(=C\c3ccccc3Br)c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C18H10BrN3O2S/c19-13-9-5-4-8-12(13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyXQOHJQSMLNWKAO-UVTDQMKNSA-N
MW412.27 g/mol
LogP2.49
Rot. Bonds2

About (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2187715) has the molecular formula C18H10BrN3O2S and a molecular weight of 412.27 g/mol. Its IUPAC name is (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2187715
Molecular FormulaC18H10BrN3O2S
Molecular Weight412.27 g/mol
Exact Mass410.97
IUPAC Name(2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESO=c1nc2s/c(=C\c3ccccc3Br)c(=O)n2nc1-c1ccccc1
InChIInChI=1S/C18H10BrN3O2S/c19-13-9-5-4-8-12(13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyXQOHJQSMLNWKAO-UVTDQMKNSA-N
XLogP2.49
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-6-Benzyl-2-(2-fluorobenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 1554617
(2Z)-6-Benzyl-2-(4-bromobenzylidene)-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 1602449
(2Z)-6-Benzyl-2-(3-bromobenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 1887309
2-(2-Bromobenzylidene)-6-ME-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 2188391
(2Z)-2-(3-Fluorobenzylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 5916759
6-Benzyl-2-benzylidene-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 92274050
(2Z)-6-benzyl-2-(3-fluorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 1600709
(Z)-6-benzyl-2-(4-fluorobenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 5533185
(2Z)-6-benzyl-2-benzylidene-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 6270693
2-(4-Ethylbenzylidene)-6-PH-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 6370141
6-benzyl-2-(3-phenyl-2-propen-1-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 2139319
(2Z)-2-(4-ethylbenzylidene)-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
CID 2937181

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2187715) is (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is O=c1nc2s/c(=C\c3ccccc3Br)c(=O)n2nc1-c1ccccc1.
What is the InChIKey of (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is XQOHJQSMLNWKAO-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H10BrN3O2S/c19-13-9-5-4-8-12(13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)11-6-2-1-3-7-11/h1-10H/b14-10-.
What are the key properties of (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 412.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-bromophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2187715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).