(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

C18H10BrN5O2S — CID 18804565

IUPAC(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
SMILESCN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc21
InChIInChI=1S/C18H10BrN5O2S/c1-23-12-3-2-10(19)8-11(12)13(16(23)25)14-17(26)24-18(27-14)21-15(22-24)9-4-6-20-7-5-9/h2-8H,1H3/b14-13-
InChIKeyIKAPZGZGFVIENX-YPKPFQOOSA-N
MW440.28 g/mol
LogP1.87
Rot. Bonds1

About (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

(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 (PubChem CID 18804565) has the molecular formula C18H10BrN5O2S and a molecular weight of 440.28 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID18804565
Molecular FormulaC18H10BrN5O2S
Molecular Weight440.28 g/mol
Exact Mass438.97
IUPAC Name(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
SMILESCN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc21
InChIInChI=1S/C18H10BrN5O2S/c1-23-12-3-2-10(19)8-11(12)13(16(23)25)14-17(26)24-18(27-14)21-15(22-24)9-4-6-20-7-5-9/h2-8H,1H3/b14-13-
InChIKeyIKAPZGZGFVIENX-YPKPFQOOSA-N
XLogP1.87
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2cc(Br)ccc21.
What is the InChIKey of (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?
The InChIKey is IKAPZGZGFVIENX-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H10BrN5O2S/c1-23-12-3-2-10(19)8-11(12)13(16(23)25)14-17(26)24-18(27-14)21-15(22-24)9-4-6-20-7-5-9/h2-8H,1H3/b14-13-.
What are the key properties of (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?
(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 has a molecular weight of 440.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 18804565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).