(4-ethyl-1,3-thiazol-2(3H)-ylidene)(2-{[4-(morpholin-4-ylmethyl)benzyl]oxy}pyrimidin-4-yl)acetonitrile

HCID 69310028
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Basic information

Standard SMILES
CCC1=CSC(=C(C#N)c2ccnc(OCc3ccc(CN4CCOCC4)cc3)n2)N1
InChIKey
DTGPGCLOGUGSJU-UHFFFAOYSA-N
Molecular formula
C23H25N5O2S
Average molar mass
435.5 g/mol
Monoisotopic mass
435.17289623

Names & identifiers

Preferred name
(4-ethyl-1,3-thiazol-2(3H)-ylidene)(2-{[4-(morpholin-4-ylmethyl)benzyl]oxy}pyrimidin-4-yl)acetonitrile
IUPAC
2-(4-ethyl-3H-1,3-thiazol-2-ylidene)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile

Names & synonyms

SCHEMBL5097511DTGPGCLOGUGSJU-UHFFFAOYSA-N(4-ethyl-1,3-thiazol-2(3H)-ylidene)(2-{[4-(morpholin-4-ylmethyl)benzyl]oxy}pyrimidin-4-yl)acetonitrile

Database identifiers

PubChem CID
69310028

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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