5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C24H21FN2OS — CID 72706881

IUPAC5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3ccc(F)cc3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C24H21FN2OS/c1-28-21-13-9-19(10-14-21)23-22(15-17-5-3-2-4-6-17)29-24(27-23)26-16-18-7-11-20(25)12-8-18/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyMMEFIENFWIVTKV-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.16
Rot. Bonds7

About 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 72706881) has the molecular formula C24H21FN2OS and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID72706881
Molecular FormulaC24H21FN2OS
Molecular Weight404.51 g/mol
Exact Mass404.14
IUPAC Name5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3ccc(F)cc3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C24H21FN2OS/c1-28-21-13-9-19(10-14-21)23-22(15-17-5-3-2-4-6-17)29-24(27-23)26-16-18-7-11-20(25)12-8-18/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyMMEFIENFWIVTKV-UHFFFAOYSA-N
XLogP6.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
2-(4-fluorobenzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
4-(4-methoxy-3-methylphenyl)-N-(6-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 751820
5-Methyl-4-(4-phenoxy-phenyl)-thiazol-2-ylamine
CID 828522
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
CID 2443333
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 2254772

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 72706881) is 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(NCc3ccc(F)cc3)sc2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is MMEFIENFWIVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS/c1-28-21-13-9-19(10-14-21)23-22(15-17-5-3-2-4-6-17)29-24(27-23)26-16-18-7-11-20(25)12-8-18/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 404.51 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72706881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).