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

C21H16N2OS — CID 873121

IUPACN-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C21H16N2OS/c1-3-7-16(8-4-1)20-15-25-21(23-20)22-17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H,(H,22,23)
InChIKeyHADMQKINUUYMLC-UHFFFAOYSA-N
MW344.44 g/mol
LogP6.35
Rot. Bonds5

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

N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 873121) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID873121
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC NameN-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C21H16N2OS/c1-3-7-16(8-4-1)20-15-25-21(23-20)22-17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H,(H,22,23)
InChIKeyHADMQKINUUYMLC-UHFFFAOYSA-N
XLogP6.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine (CID 873121) is N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine is c1ccc(Oc2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HADMQKINUUYMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-3-7-16(8-4-1)20-15-25-21(23-20)22-17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H,(H,22,23).
What are the key properties of N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine?
N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 344.44 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 873121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).