(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C15H17N3OS — CID 2042689

IUPAC(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCN(C)c1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1
InChIInChI=1S/C15H17N3OS/c1-17(2)12-6-4-11(5-7-12)10-13-14(19)18-9-3-8-16-15(18)20-13/h4-7,10H,3,8-9H2,1-2H3/b13-10-
InChIKeyJWUSLKLZGDDQJI-RAXLEYEMSA-N
MW287.39 g/mol
LogP0.83
Rot. Bonds2

About (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 2042689) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID2042689
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCN(C)c1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1
InChIInChI=1S/C15H17N3OS/c1-17(2)12-6-4-11(5-7-12)10-13-14(19)18-9-3-8-16-15(18)20-13/h4-7,10H,3,8-9H2,1-2H3/b13-10-
InChIKeyJWUSLKLZGDDQJI-RAXLEYEMSA-N
XLogP0.83
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 2042689) is (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is CN(C)c1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1.
What is the InChIKey of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is JWUSLKLZGDDQJI-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-17(2)12-6-4-11(5-7-12)10-13-14(19)18-9-3-8-16-15(18)20-13/h4-7,10H,3,8-9H2,1-2H3/b13-10-.
What are the key properties of (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 287.39 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 2042689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).