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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Abafungin
CID 159326
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
3-[2-(4-Hydroxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 695916

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).