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

C13H14FNO3S2 — CID 75414903

IUPAC4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESCCS(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FNO3S2/c1-2-20(16,17)9-11-8-19-13(15-11)7-18-12-5-3-10(14)4-6-12/h3-6,8H,2,7,9H2,1H3
InChIKeyDRDPXEDXCJYWJG-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.80
Rot. Bonds6

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

4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 75414903) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID75414903
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESCCS(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FNO3S2/c1-2-20(16,17)9-11-8-19-13(15-11)7-18-12-5-3-10(14)4-6-12/h3-6,8H,2,7,9H2,1H3
InChIKeyDRDPXEDXCJYWJG-UHFFFAOYSA-N
XLogP2.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (CID 75414903) is 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is CCS(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is DRDPXEDXCJYWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-2-20(16,17)9-11-8-19-13(15-11)7-18-12-5-3-10(14)4-6-12/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 315.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylmethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 75414903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).