4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine

C20H20F2N2S — CID 87078108

IUPAC4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
SMILESCCCCCc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C20H20F2N2S/c1-2-3-4-5-14-6-9-16(10-7-14)23-20-24-19(13-25-20)17-11-8-15(21)12-18(17)22/h6-13H,2-5H2,1H3,(H,23,24)
InChIKeyADMPOSHOYWIARQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.56
Rot. Bonds7

About 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine

4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine (PubChem CID 87078108) has the molecular formula C20H20F2N2S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
PubChem CID87078108
Molecular FormulaC20H20F2N2S
Molecular Weight358.46 g/mol
Exact Mass358.13
IUPAC Name4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
SMILESCCCCCc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C20H20F2N2S/c1-2-3-4-5-14-6-9-16(10-7-14)23-20-24-19(13-25-20)17-11-8-15(21)12-18(17)22/h6-13H,2-5H2,1H3,(H,23,24)
InChIKeyADMPOSHOYWIARQ-UHFFFAOYSA-N
XLogP6.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 58791311
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine
CID 58791925
4-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 6737929
4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
CID 58791246
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 18774577
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine (CID 87078108) is 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine is CCCCCc1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ADMPOSHOYWIARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2S/c1-2-3-4-5-14-6-9-16(10-7-14)23-20-24-19(13-25-20)17-11-8-15(21)12-18(17)22/h6-13H,2-5H2,1H3,(H,23,24).
What are the key properties of 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine has a molecular weight of 358.46 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87078108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).