(4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone

C18H14FNO2S — CID 121324138

IUPAC(4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2snc(C)c2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO2S/c1-11-16(17(21)12-3-7-14(19)8-4-12)18(23-20-11)13-5-9-15(22-2)10-6-13/h3-10H,1-2H3
InChIKeyUTNIBDXWCYIXMH-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.50
Rot. Bonds4

About (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone

(4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone (PubChem CID 121324138) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone
PubChem CID121324138
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name(4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone
SMILESCOc1ccc(-c2snc(C)c2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO2S/c1-11-16(17(21)12-3-7-14(19)8-4-12)18(23-20-11)13-5-9-15(22-2)10-6-13/h3-10H,1-2H3
InChIKeyUTNIBDXWCYIXMH-UHFFFAOYSA-N
XLogP4.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone (CID 121324138) is (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone is COc1ccc(-c2snc(C)c2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone?
The InChIKey is UTNIBDXWCYIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c1-11-16(17(21)12-3-7-14(19)8-4-12)18(23-20-11)13-5-9-15(22-2)10-6-13/h3-10H,1-2H3.
What are the key properties of (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone?
(4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(4-methoxyphenyl)-3-methyl-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 121324138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).