2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole

C16H12FNS — CID 47173323

IUPAC2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H12FNS/c17-14-8-6-12(7-9-14)10-16-18-15(11-19-16)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyDRTVNWYPGYCAOV-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.54
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole

2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole (PubChem CID 47173323) has the molecular formula C16H12FNS and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
PubChem CID47173323
Molecular FormulaC16H12FNS
Molecular Weight269.34 g/mol
Exact Mass269.07
IUPAC Name2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(Cc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H12FNS/c17-14-8-6-12(7-9-14)10-16-18-15(11-19-16)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyDRTVNWYPGYCAOV-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
2-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817296
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzoic acid
CID 176901735
3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 10450423
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817066
2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-ol
CID 130501430
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole (CID 47173323) is 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole is Fc1ccc(Cc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole?
The InChIKey is DRTVNWYPGYCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNS/c17-14-8-6-12(7-9-14)10-16-18-15(11-19-16)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole?
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole has a molecular weight of 269.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 47173323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).