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

C19H18FNO2S2 — CID 46083326

IUPAC4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(OCc2nc(CSCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C19H18FNO2S2/c1-22-17-6-8-18(9-7-17)23-10-19-21-16(13-25-19)12-24-11-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3
InChIKeyDCWFHPAQIHEIEO-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.30
Rot. Bonds8

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

4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole (PubChem CID 46083326) has the molecular formula C19H18FNO2S2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
PubChem CID46083326
Molecular FormulaC19H18FNO2S2
Molecular Weight375.49 g/mol
Exact Mass375.08
IUPAC Name4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(OCc2nc(CSCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C19H18FNO2S2/c1-22-17-6-8-18(9-7-17)23-10-19-21-16(13-25-19)12-24-11-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3
InChIKeyDCWFHPAQIHEIEO-UHFFFAOYSA-N
XLogP5.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole (CID 46083326) is 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole is COc1ccc(OCc2nc(CSCc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
The InChIKey is DCWFHPAQIHEIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S2/c1-22-17-6-8-18(9-7-17)23-10-19-21-16(13-25-19)12-24-11-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole has a molecular weight of 375.49 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 46083326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).