2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

C18H14FNOS2 — CID 1477679

IUPAC2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H14FNOS2/c1-12-17(23-18(20-12)13-5-3-2-4-6-13)16(21)11-22-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3
InChIKeyLOSJQRLEWCEJFS-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.23
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 1477679) has the molecular formula C18H14FNOS2 and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID1477679
Molecular FormulaC18H14FNOS2
Molecular Weight343.45 g/mol
Exact Mass343.05
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H14FNOS2/c1-12-17(23-18(20-12)13-5-3-2-4-6-13)16(21)11-22-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3
InChIKeyLOSJQRLEWCEJFS-UHFFFAOYSA-N
XLogP5.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (CID 1477679) is 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is LOSJQRLEWCEJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNOS2/c1-12-17(23-18(20-12)13-5-3-2-4-6-13)16(21)11-22-15-9-7-14(19)8-10-15/h2-10H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 343.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 1477679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).