4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine

C20H17FN4OS — CID 50972717

IUPAC4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1csc(N)n1
InChIInChI=1S/C20H17FN4OS/c1-26-16-9-5-8-15(21)17(16)19-18(13-6-3-2-4-7-13)23-12-25(19)10-14-11-27-20(22)24-14/h2-9,11-12H,10H2,1H3,(H2,22,24)
InChIKeyUEYSPFBTPRHSMJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.45
Rot. Bonds5

About 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine

4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 50972717) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID50972717
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1csc(N)n1
InChIInChI=1S/C20H17FN4OS/c1-26-16-9-5-8-15(21)17(16)19-18(13-6-3-2-4-7-13)23-12-25(19)10-14-11-27-20(22)24-14/h2-9,11-12H,10H2,1H3,(H2,22,24)
InChIKeyUEYSPFBTPRHSMJ-UHFFFAOYSA-N
XLogP4.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 50972717) is 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine is COc1cccc(F)c1-c1c(-c2ccccc2)ncn1Cc1csc(N)n1.
What is the InChIKey of 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is UEYSPFBTPRHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-26-16-9-5-8-15(21)17(16)19-18(13-6-3-2-4-7-13)23-12-25(19)10-14-11-27-20(22)24-14/h2-9,11-12H,10H2,1H3,(H2,22,24).
What are the key properties of 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 380.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50972717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).