1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

C13H12FNOS2 — CID 66070338

IUPAC1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCc1nc(CC(=O)CSc2ccc(F)cc2)cs1
InChIInChI=1S/C13H12FNOS2/c1-9-15-11(7-17-9)6-12(16)8-18-13-4-2-10(14)3-5-13/h2-5,7H,6,8H2,1H3
InChIKeyIDIGCEIILYFFSV-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one

1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (PubChem CID 66070338) has the molecular formula C13H12FNOS2 and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
PubChem CID66070338
Molecular FormulaC13H12FNOS2
Molecular Weight281.38 g/mol
Exact Mass281.03
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCc1nc(CC(=O)CSc2ccc(F)cc2)cs1
InChIInChI=1S/C13H12FNOS2/c1-9-15-11(7-17-9)6-12(16)8-18-13-4-2-10(14)3-5-13/h2-5,7H,6,8H2,1H3
InChIKeyIDIGCEIILYFFSV-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (CID 66070338) is 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is Cc1nc(CC(=O)CSc2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is IDIGCEIILYFFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS2/c1-9-15-11(7-17-9)6-12(16)8-18-13-4-2-10(14)3-5-13/h2-5,7H,6,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 281.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 66070338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).