(2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C17H13BrN4O3S — CID 18804749

IUPAC(2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCN1C(=O)/C(=c2\sc3nc(=O)c(C)nn3c2=O)c2cc(Br)ccc21
InChIInChI=1S/C17H13BrN4O3S/c1-3-6-21-11-5-4-9(18)7-10(11)12(15(21)24)13-16(25)22-17(26-13)19-14(23)8(2)20-22/h4-5,7H,3,6H2,1-2H3/b13-12-
InChIKeyIYHDVLYLEXTCJU-SEYXRHQNSA-N
MW433.29 g/mol
LogP1.26
Rot. Bonds2

About (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 18804749) has the molecular formula C17H13BrN4O3S and a molecular weight of 433.29 g/mol. Its IUPAC name is (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID18804749
Molecular FormulaC17H13BrN4O3S
Molecular Weight433.29 g/mol
Exact Mass431.99
IUPAC Name(2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCCN1C(=O)/C(=c2\sc3nc(=O)c(C)nn3c2=O)c2cc(Br)ccc21
InChIInChI=1S/C17H13BrN4O3S/c1-3-6-21-11-5-4-9(18)7-10(11)12(15(21)24)13-16(25)22-17(26-13)19-14(23)8(2)20-22/h4-5,7H,3,6H2,1-2H3/b13-12-
InChIKeyIYHDVLYLEXTCJU-SEYXRHQNSA-N
XLogP1.26
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4500339
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804535
(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804498
(2Z)-2-[5-bromo-1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 18804764
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-(4-butoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804440
2-[5-bromo-1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4500831
2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3875195
(5Z)-2-(4-bromophenyl)-5-(1-heptyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804482
(5Z)-5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804565
(5Z)-5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804404
5-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-2-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3737968
[3-[(5Z)-6-oxo-5-(2-oxo-1-propylindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalen-2-yl] acetate
CID 34360258

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 18804749) is (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCCN1C(=O)/C(=c2\sc3nc(=O)c(C)nn3c2=O)c2cc(Br)ccc21.
What is the InChIKey of (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is IYHDVLYLEXTCJU-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H13BrN4O3S/c1-3-6-21-11-5-4-9(18)7-10(11)12(15(21)24)13-16(25)22-17(26-13)19-14(23)8(2)20-22/h4-5,7H,3,6H2,1-2H3/b13-12-.
What are the key properties of (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 433.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 18804749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).