4-(4-phenoxyphenyl)-1,3-thiazol-2-amine

C15H12N2OS — CID 780598

IUPAC4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C15H12N2OS/c16-15-17-14(10-19-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H2,16,17)
InChIKeyAZZJNMYKYSAYPZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.18
Rot. Bonds3

About 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine

4-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 780598) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID780598
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C15H12N2OS/c16-15-17-14(10-19-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H2,16,17)
InChIKeyAZZJNMYKYSAYPZ-UHFFFAOYSA-N
XLogP4.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 780598) is 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is AZZJNMYKYSAYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-15-17-14(10-19-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H2,16,17).
What are the key properties of 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 268.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 780598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).