2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole

C16H8F5NOS — CID 112769783

IUPAC2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(-c2nc(COc3c(F)c(F)cc(F)c3F)cs2)cc1
InChIInChI=1S/C16H8F5NOS/c17-9-3-1-8(2-4-9)16-22-10(7-24-16)6-23-15-13(20)11(18)5-12(19)14(15)21/h1-5,7H,6H2
InChIKeyJFCFTSMRQGRRNK-UHFFFAOYSA-N
MW357.30 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole

2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole (PubChem CID 112769783) has the molecular formula C16H8F5NOS and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole
PubChem CID112769783
Molecular FormulaC16H8F5NOS
Molecular Weight357.30 g/mol
Exact Mass357.02
IUPAC Name2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(-c2nc(COc3c(F)c(F)cc(F)c3F)cs2)cc1
InChIInChI=1S/C16H8F5NOS/c17-9-3-1-8(2-4-9)16-22-10(7-24-16)6-23-15-13(20)11(18)5-12(19)14(15)21/h1-5,7H,6H2
InChIKeyJFCFTSMRQGRRNK-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664153
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-fluorobenzoate
CID 16612092
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
CID 30649329
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole (CID 112769783) is 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole is Fc1ccc(-c2nc(COc3c(F)c(F)cc(F)c3F)cs2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is JFCFTSMRQGRRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F5NOS/c17-9-3-1-8(2-4-9)16-22-10(7-24-16)6-23-15-13(20)11(18)5-12(19)14(15)21/h1-5,7H,6H2.
What are the key properties of 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 357.30 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(2,3,5,6-tetrafluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 112769783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).