2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole

C16H12FNO2S2 — CID 54094069

IUPAC2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C16H12FNO2S2/c1-22(19,20)14-8-4-11(5-9-14)15-10-18-16(21-15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyMVVVWCYEUDOKJO-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.02
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole

2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 54094069) has the molecular formula C16H12FNO2S2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID54094069
Molecular FormulaC16H12FNO2S2
Molecular Weight333.41 g/mol
Exact Mass333.03
IUPAC Name2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2cnc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C16H12FNO2S2/c1-22(19,20)14-8-4-11(5-9-14)15-10-18-16(21-15)12-2-6-13(17)7-3-12/h2-10H,1H3
InChIKeyMVVVWCYEUDOKJO-UHFFFAOYSA-N
XLogP4.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenyl-1,3-thiazol-2-yl)benzenesulfonic acid
CID 88788376
2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 141096444
2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167475514
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 150283484
5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 56500906
1-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-fluorobenzene
CID 23370580
5-(4-fluorophenyl)-2-methylsulfonyl-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54150112
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
2-[3,3-difluoro-5-(4-fluorophenyl)cyclopenta-1,4-dien-1-yl]-5-methylsulfonylpyridine
CID 23370662
5-chloro-2-(4-fluorophenyl)-1,3-thiazole
CID 117259108
4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 142384374

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 54094069) is 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2cnc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is MVVVWCYEUDOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S2/c1-22(19,20)14-8-4-11(5-9-14)15-10-18-16(21-15)12-2-6-13(17)7-3-12/h2-10H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole?
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 333.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 54094069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).