(5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C20H13N5O2S — CID 19256309

IUPAC(5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(=O)n1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C20H13N5O2S/c1-12(26)24-11-14(15-4-2-3-5-16(15)24)10-17-19(27)25-20(28-17)22-18(23-25)13-6-8-21-9-7-13/h2-11H,1H3/b17-10-
InChIKeyHPSMGOHTTSYKCF-YVLHZVERSA-N
MW387.42 g/mol
LogP2.38
Rot. Bonds2

About (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 19256309) has the molecular formula C20H13N5O2S and a molecular weight of 387.42 g/mol. Its IUPAC name is (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID19256309
Molecular FormulaC20H13N5O2S
Molecular Weight387.42 g/mol
Exact Mass387.08
IUPAC Name(5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCC(=O)n1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C20H13N5O2S/c1-12(26)24-11-14(15-4-2-3-5-16(15)24)10-17-19(27)25-20(28-17)22-18(23-25)13-6-8-21-9-7-13/h2-11H,1H3/b17-10-
InChIKeyHPSMGOHTTSYKCF-YVLHZVERSA-N
XLogP2.38
TPSA82.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996
(5Z)-2-phenyl-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126652
methyl 4-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]benzoate
CID 6126836
(5Z)-5-[(2-nitrophenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527442
(5E)-5-[(4-chlorophenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699999
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 750691
[3-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 6527502
(5Z)-2-(4-bromophenyl)-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126659
5-[[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4504948
5-[(2-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3547902
(5Z)-5-[(4-nitrophenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6125364
5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4501343

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 19256309) is (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CC(=O)n1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21.
What is the InChIKey of (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is HPSMGOHTTSYKCF-YVLHZVERSA-N. The full InChI is InChI=1S/C20H13N5O2S/c1-12(26)24-11-14(15-4-2-3-5-16(15)24)10-17-19(27)25-20(28-17)22-18(23-25)13-6-8-21-9-7-13/h2-11H,1H3/b17-10-.
What are the key properties of (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 387.42 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-acetylindol-3-yl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 19256309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).