5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C17H18N4S2 — CID 22971260

IUPAC5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(CSc2cnc(Nc3ccccn3)s2)cc1
InChIInChI=1S/C17H18N4S2/c1-21(2)14-8-6-13(7-9-14)12-22-16-11-19-17(23-16)20-15-5-3-4-10-18-15/h3-11H,12H2,1-2H3,(H,18,19,20)
InChIKeyWFFOATHLZGSTSF-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.64
Rot. Bonds6

About 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 22971260) has the molecular formula C17H18N4S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID22971260
Molecular FormulaC17H18N4S2
Molecular Weight342.49 g/mol
Exact Mass342.10
IUPAC Name5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(CSc2cnc(Nc3ccccn3)s2)cc1
InChIInChI=1S/C17H18N4S2/c1-21(2)14-8-6-13(7-9-14)12-22-16-11-19-17(23-16)20-15-5-3-4-10-18-15/h3-11H,12H2,1-2H3,(H,18,19,20)
InChIKeyWFFOATHLZGSTSF-UHFFFAOYSA-N
XLogP4.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 22971260) is 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is CN(C)c1ccc(CSc2cnc(Nc3ccccn3)s2)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is WFFOATHLZGSTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S2/c1-21(2)14-8-6-13(7-9-14)12-22-16-11-19-17(23-16)20-15-5-3-4-10-18-15/h3-11H,12H2,1-2H3,(H,18,19,20).
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 342.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylsulfanyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 22971260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).