[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone

C16H9F2NOS — CID 63102442

IUPAC[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C16H9F2NOS/c17-11-6-7-12(13(18)8-11)14-9-21-16(19-14)15(20)10-4-2-1-3-5-10/h1-9H
InChIKeyMAUGNJUBKZOJDQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.32
Rot. Bonds3

About [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone

[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone (PubChem CID 63102442) has the molecular formula C16H9F2NOS and a molecular weight of 301.32 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
PubChem CID63102442
Molecular FormulaC16H9F2NOS
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C16H9F2NOS/c17-11-6-7-12(13(18)8-11)14-9-21-16(19-14)15(20)10-4-2-1-3-5-10/h1-9H
InChIKeyMAUGNJUBKZOJDQ-UHFFFAOYSA-N
XLogP4.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102619
[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524212
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 18774577
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2165576
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
[4-(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201038
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524748
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63993298

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The IUPAC name of [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone (CID 63102442) is [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The canonical SMILES for [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The InChIKey is MAUGNJUBKZOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NOS/c17-11-6-7-12(13(18)8-11)14-9-21-16(19-14)15(20)10-4-2-1-3-5-10/h1-9H.
What are the key properties of [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone?
[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone has a molecular weight of 301.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 63102442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).