[5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone

C17H10F3NOS — CID 162692046

IUPAC[5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccc(F)cc2)nsc1C(F)F
InChIInChI=1S/C17H10F3NOS/c18-12-8-6-10(7-9-12)14-13(16(17(19)20)23-21-14)15(22)11-4-2-1-3-5-11/h1-9,17H
InChIKeyNNCFVSDELYOENN-UHFFFAOYSA-N
MW333.33 g/mol
LogP5.12
Rot. Bonds4

About [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone

[5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone (PubChem CID 162692046) has the molecular formula C17H10F3NOS and a molecular weight of 333.33 g/mol. Its IUPAC name is [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone
PubChem CID162692046
Molecular FormulaC17H10F3NOS
Molecular Weight333.33 g/mol
Exact Mass333.04
IUPAC Name[5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccc(F)cc2)nsc1C(F)F
InChIInChI=1S/C17H10F3NOS/c18-12-8-6-10(7-9-12)14-13(16(17(19)20)23-21-14)15(22)11-4-2-1-3-5-11/h1-9,17H
InChIKeyNNCFVSDELYOENN-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone (CID 162692046) is [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1c(-c2ccc(F)cc2)nsc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone?
The InChIKey is NNCFVSDELYOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NOS/c18-12-8-6-10(7-9-12)14-13(16(17(19)20)23-21-14)15(22)11-4-2-1-3-5-11/h1-9,17H.
What are the key properties of [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone?
[5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone has a molecular weight of 333.33 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-3-(4-fluorophenyl)-1,2-thiazol-4-yl]-phenylmethanone is sourced from PubChem (CID 162692046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).