[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone

C17H12FNOS2 — CID 164668731

IUPAC[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2scnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12FNOS2/c1-21-14-8-4-12(5-9-14)16(20)17-15(19-10-22-17)11-2-6-13(18)7-3-11/h2-10H,1H3
InChIKeySOEUMOSTNVMYQJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.90
Rot. Bonds4

About [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone

[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 164668731) has the molecular formula C17H12FNOS2 and a molecular weight of 329.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID164668731
Molecular FormulaC17H12FNOS2
Molecular Weight329.42 g/mol
Exact Mass329.03
IUPAC Name[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2scnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12FNOS2/c1-21-14-8-4-12(5-9-14)16(20)17-15(19-10-22-17)11-2-6-13(18)7-3-11/h2-10H,1H3
InChIKeySOEUMOSTNVMYQJ-UHFFFAOYSA-N
XLogP4.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone (CID 164668731) is [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2scnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is SOEUMOSTNVMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS2/c1-21-14-8-4-12(5-9-14)16(20)17-15(19-10-22-17)11-2-6-13(18)7-3-11/h2-10H,1H3.
What are the key properties of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone?
[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 329.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 164668731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).