HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

5-(4-Cyanobenzoyl)-thiazole

HCID 18949017
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(C(=O)c2cncs2)cc1
InChIKey
OGUYUXBEPBRWDZ-UHFFFAOYSA-N
Molecular formula
C11H6N2OS
Average molar mass
214.25 g/mol

Names & identifiers

Preferred name
5-(4-Cyanobenzoyl)-thiazole
IUPAC
4-(1,3-thiazole-5-carbonyl)benzonitrile

Names & synonyms

5-(4-cyanobenzoyl)-thiazoleSCHEMBL8746213OGUYUXBEPBRWDZ-UHFFFAOYSA-N

Database identifiers

PubChem CID
18949017

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
82 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
288

Related reactions

4 records
New reaction record
HRID 5934 reaction equation
HRID 5934As reactantuspto-grants-1993_09
HRID 1567474 reaction equation
HRID 1567474As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1768635 reaction equation
HRID 1768635As reactantuspto-grants-1995_01
HRID 2160421 reaction equation
HRID 2160421As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes