2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole

C12H12FNO2S2 — CID 64717531

IUPAC2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole
SMILESCCc1nc(CS(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H12FNO2S2/c1-2-12-14-10(7-17-12)8-18(15,16)11-5-3-9(13)4-6-11/h3-7H,2,8H2,1H3
InChIKeyUDCRSJSTEVYVMW-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.82
Rot. Bonds4

About 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole

2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole (PubChem CID 64717531) has the molecular formula C12H12FNO2S2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole
PubChem CID64717531
Molecular FormulaC12H12FNO2S2
Molecular Weight285.37 g/mol
Exact Mass285.03
IUPAC Name2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole
SMILESCCc1nc(CS(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C12H12FNO2S2/c1-2-12-14-10(7-17-12)8-18(15,16)11-5-3-9(13)4-6-11/h3-7H,2,8H2,1H3
InChIKeyUDCRSJSTEVYVMW-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 55021494
3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 53499958
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 91762704
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
CID 111104868
(2-ethyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-sulfamoylbenzoate
CID 30764484
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]phenyl]acetic acid
CID 43440371
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
2-[(4-fluorophenyl)sulfonylmethyl]thiophene
CID 64716484
4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 47051600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole (CID 64717531) is 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole is CCc1nc(CS(=O)(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole?
The InChIKey is UDCRSJSTEVYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S2/c1-2-12-14-10(7-17-12)8-18(15,16)11-5-3-9(13)4-6-11/h3-7H,2,8H2,1H3.
What are the key properties of 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole?
2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole has a molecular weight of 285.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole is sourced from PubChem (CID 64717531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).