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(1Z)-1-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-(2-methylbutan-2-yl)urea

HCID 87518902
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(C)(C)NC(=O)/N=c1\sc(C)c(C)n1CCOC
InChIKey
UMRQXPKEDZMYHT-SQFISAMPSA-N
Molecular formula
C14H25N3O2S
Average molar mass
299.43 g/mol

Names & identifiers

Preferred name
(1Z)-1-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-(2-methylbutan-2-yl)urea
IUPAC
(1Z)-1-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-3-(2-methylbutan-2-yl)urea

Database identifiers

PubChem CID
87518902

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
79.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
430

Related reactions

2 records
New reaction record
HRID 78456 reaction equation
HRID 78456As productuspto-grants-2014_09
HRID 1037877 reaction equation
HRID 1037877As productuspto-grants-2013_10

Compound notes

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