1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone

C15H12FN3OS — CID 142057384

IUPAC1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccnn2C)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H12FN3OS/c1-9(20)15-18-13(12-7-8-17-19(12)2)14(21-15)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyWCTBWTLAUDLMJL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.55
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone

1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 142057384) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID142057384
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccnn2C)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H12FN3OS/c1-9(20)15-18-13(12-7-8-17-19(12)2)14(21-15)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyWCTBWTLAUDLMJL-UHFFFAOYSA-N
XLogP3.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone (CID 142057384) is 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccnn2C)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is WCTBWTLAUDLMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-9(20)15-18-13(12-7-8-17-19(12)2)14(21-15)10-3-5-11(16)6-4-10/h3-8H,1-2H3.
What are the key properties of 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone?
1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 301.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 142057384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).