(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

C19H12BrN5O2S — CID 18804535

IUPAC(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
SMILESCCN1C(=O)/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2cc(Br)ccc21
InChIInChI=1S/C19H12BrN5O2S/c1-2-24-13-6-5-11(20)8-12(13)14(17(24)26)15-18(27)25-19(28-15)22-16(23-25)10-4-3-7-21-9-10/h3-9H,2H2,1H3/b15-14-
InChIKeyWHGLOBGBMPTFAI-PFONDFGASA-N
MW454.31 g/mol
LogP2.26
Rot. Bonds2

About (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

(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 (PubChem CID 18804535) has the molecular formula C19H12BrN5O2S and a molecular weight of 454.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID18804535
Molecular FormulaC19H12BrN5O2S
Molecular Weight454.31 g/mol
Exact Mass452.99
IUPAC Name(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
SMILESCCN1C(=O)/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2cc(Br)ccc21
InChIInChI=1S/C19H12BrN5O2S/c1-2-24-13-6-5-11(20)8-12(13)14(17(24)26)15-18(27)25-19(28-15)22-16(23-25)10-4-3-7-21-9-10/h3-9H,2H2,1H3/b15-14-
InChIKeyWHGLOBGBMPTFAI-PFONDFGASA-N
XLogP2.26
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN1C(=O)/C(=c2\sc3nc(-c4cccnc4)nn3c2=O)c2cc(Br)ccc21.
What is the InChIKey of (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?
The InChIKey is WHGLOBGBMPTFAI-PFONDFGASA-N. The full InChI is InChI=1S/C19H12BrN5O2S/c1-2-24-13-6-5-11(20)8-12(13)14(17(24)26)15-18(27)25-19(28-15)22-16(23-25)10-4-3-7-21-9-10/h3-9H,2H2,1H3/b15-14-.
What are the key properties of (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?
(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 has a molecular weight of 454.31 g/mol, XLogP of 2.26, 2 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-ethyl-2-oxoindol-3-ylidene)-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18804535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).