(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C18H15N5OS — CID 852536

IUPAC(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCN(C)c1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1
InChIInChI=1S/C18H15N5OS/c1-22(2)14-7-5-12(6-8-14)10-15-17(24)23-16(20-21-18(23)25-15)13-4-3-9-19-11-13/h3-11H,1-2H3/b15-10-
InChIKeyPOSSXXCOJXDJMD-GDNBJRDFSA-N
MW349.42 g/mol
LogP1.83
Rot. Bonds3

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

(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 852536) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID852536
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCN(C)c1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1
InChIInChI=1S/C18H15N5OS/c1-22(2)14-7-5-12(6-8-14)10-15-17(24)23-16(20-21-18(23)25-15)13-4-3-9-19-11-13/h3-11H,1-2H3/b15-10-
InChIKeyPOSSXXCOJXDJMD-GDNBJRDFSA-N
XLogP1.83
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 852536) is (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is CN(C)c1ccc(/C=c2\sc3nnc(-c4cccnc4)n3c2=O)cc1.
What is the InChIKey of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is POSSXXCOJXDJMD-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-22(2)14-7-5-12(6-8-14)10-15-17(24)23-16(20-21-18(23)25-15)13-4-3-9-19-11-13/h3-11H,1-2H3/b15-10-.
What are the key properties of (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 349.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 852536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).