5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine

C16H14ClN3OS — CID 169196519

IUPAC5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2ccccc2)c(Oc2ccnc(Cl)c2)s1
InChIInChI=1S/C16H14ClN3OS/c1-20(2)16-19-14(11-6-4-3-5-7-11)15(22-16)21-12-8-9-18-13(17)10-12/h3-10H,1-2H3
InChIKeyZVKOPTAAMWGCNN-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.72
Rot. Bonds4

About 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine

5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 169196519) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID169196519
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2ccccc2)c(Oc2ccnc(Cl)c2)s1
InChIInChI=1S/C16H14ClN3OS/c1-20(2)16-19-14(11-6-4-3-5-7-11)15(22-16)21-12-8-9-18-13(17)10-12/h3-10H,1-2H3
InChIKeyZVKOPTAAMWGCNN-UHFFFAOYSA-N
XLogP4.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine (CID 169196519) is 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine is CN(C)c1nc(-c2ccccc2)c(Oc2ccnc(Cl)c2)s1.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZVKOPTAAMWGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-20(2)16-19-14(11-6-4-3-5-7-11)15(22-16)21-12-8-9-18-13(17)10-12/h3-10H,1-2H3.
What are the key properties of 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine?
5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 331.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 169196519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).