(2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone

C10H5F2NOS — CID 78923516

IUPAC(2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1ccc(F)cc1F
InChIInChI=1S/C10H5F2NOS/c11-6-1-2-7(8(12)3-6)10(14)9-4-15-5-13-9/h1-5H
InChIKeyCMEBXAPIEFNZLP-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.65
Rot. Bonds2

About (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone

(2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone (PubChem CID 78923516) has the molecular formula C10H5F2NOS and a molecular weight of 225.22 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone
PubChem CID78923516
Molecular FormulaC10H5F2NOS
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name(2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)c1ccc(F)cc1F
InChIInChI=1S/C10H5F2NOS/c11-6-1-2-7(8(12)3-6)10(14)9-4-15-5-13-9/h1-5H
InChIKeyCMEBXAPIEFNZLP-UHFFFAOYSA-N
XLogP2.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone (CID 78923516) is (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is CMEBXAPIEFNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NOS/c11-6-1-2-7(8(12)3-6)10(14)9-4-15-5-13-9/h1-5H.
What are the key properties of (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone?
(2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 225.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 78923516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).