4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine

C14H11N3S — CID 750531

IUPAC4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C14H11N3S/c1-2-6-11(7-3-1)12-10-18-14(16-12)17-13-8-4-5-9-15-13/h1-10H,(H,15,16,17)
InChIKeyWSTKLVLYBZVDNA-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.95
Rot. Bonds3

About 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine

4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 750531) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID750531
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C14H11N3S/c1-2-6-11(7-3-1)12-10-18-14(16-12)17-13-8-4-5-9-15-13/h1-10H,(H,15,16,17)
InChIKeyWSTKLVLYBZVDNA-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 750531) is 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3ccccn3)n2)cc1.
What is the InChIKey of 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is WSTKLVLYBZVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)12-10-18-14(16-12)17-13-8-4-5-9-15-13/h1-10H,(H,15,16,17).
What are the key properties of 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 750531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).