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

C22H17FN2OS — CID 5230087

IUPAC4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)ccc1F
InChIInChI=1S/C22H17FN2OS/c1-15-13-16(7-12-20(15)23)21-14-27-22(25-21)24-17-8-10-19(11-9-17)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25)
InChIKeyDJLCUTAXDWWKRV-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.79
Rot. Bonds5

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

4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 5230087) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID5230087
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)ccc1F
InChIInChI=1S/C22H17FN2OS/c1-15-13-16(7-12-20(15)23)21-14-27-22(25-21)24-17-8-10-19(11-9-17)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25)
InChIKeyDJLCUTAXDWWKRV-UHFFFAOYSA-N
XLogP6.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
4-(4-fluorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791434
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N,N-dimethyl-4-[2-(4-phenoxyanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 58910466
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 5230087) is 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is Cc1cc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DJLCUTAXDWWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-15-13-16(7-12-20(15)23)21-14-27-22(25-21)24-17-8-10-19(11-9-17)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 376.46 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 5230087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).