(4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone

C16H9F2NOS — CID 164671495

IUPAC(4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1scnc1-c1ccc(F)cc1
InChIInChI=1S/C16H9F2NOS/c17-12-5-1-10(2-6-12)14-16(21-9-19-14)15(20)11-3-7-13(18)8-4-11/h1-9H
InChIKeyGMQAHTRINBKCLG-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.32
Rot. Bonds3

About (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone

(4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 164671495) has the molecular formula C16H9F2NOS and a molecular weight of 301.32 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone
PubChem CID164671495
Molecular FormulaC16H9F2NOS
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name(4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1scnc1-c1ccc(F)cc1
InChIInChI=1S/C16H9F2NOS/c17-12-5-1-10(2-6-12)14-16(21-9-19-14)15(20)11-3-7-13(18)8-4-11/h1-9H
InChIKeyGMQAHTRINBKCLG-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

(2-Amino-4-phenyl-1,3-thiazol-5-yl)(phenyl)methanone
CID 774758
Phenyl(2-phenyl-1,3-thiazol-5-yl)methanone
CID 3780158
4-Phenylthiazole-5-carboxamide
CID 16658827
(2-Chlorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
CID 145991674
[4-(3-Chlorophenyl)-1,3-thiazol-5-yl]-(3,4-dichlorophenyl)methanone
CID 145991755
1-[2-(2,4-Difluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 2806145
1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 8964238
4-(3-Phenylphenyl)thiazole-5-carboxamide
CID 16658122
4-(3-Benzoylphenyl)thiazole-5-carboxamide
CID 16658826
2-[(4-Fluorophenyl)sulfanyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone
CID 1477679
(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one
CID 5707211
(2-Chlorophenyl)-[4-(3-chlorophenyl)-1,3-thiazol-5-yl]methanone
CID 145994203

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone (CID 164671495) is (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccc(F)cc1)c1scnc1-c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is GMQAHTRINBKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NOS/c17-12-5-1-10(2-6-12)14-16(21-9-19-14)15(20)11-3-7-13(18)8-4-11/h1-9H.
What are the key properties of (4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone?
(4-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone 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-fluorophenyl)-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 164671495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).