2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole

C12H12FNO3S2 — CID 47207809

IUPAC2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNO3S2/c1-19(15,16)8-10-7-18-12(14-10)6-17-11-4-2-9(13)3-5-11/h2-5,7H,6,8H2,1H3
InChIKeyDKJLDYXUXKAMNA-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.41
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole

2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 47207809) has the molecular formula C12H12FNO3S2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID47207809
Molecular FormulaC12H12FNO3S2
Molecular Weight301.36 g/mol
Exact Mass301.02
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C12H12FNO3S2/c1-19(15,16)8-10-7-18-12(14-10)6-17-11-4-2-9(13)3-5-11/h2-5,7H,6,8H2,1H3
InChIKeyDKJLDYXUXKAMNA-UHFFFAOYSA-N
XLogP2.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole (CID 47207809) is 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole is CS(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is DKJLDYXUXKAMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S2/c1-19(15,16)8-10-7-18-12(14-10)6-17-11-4-2-9(13)3-5-11/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole?
2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 301.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 47207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).