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

C19H12FN3OS — CID 164671499

IUPAC[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)c1scnc1-c1ccc(F)cc1
InChIInChI=1S/C19H12FN3OS/c20-15-6-2-13(3-7-15)17-19(25-12-21-17)18(24)14-4-8-16(9-5-14)23-11-1-10-22-23/h1-12H
InChIKeyPOSQZZBRUVPXNU-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.37
Rot. Bonds4

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

[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 164671499) has the molecular formula C19H12FN3OS and a molecular weight of 349.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID164671499
Molecular FormulaC19H12FN3OS
Molecular Weight349.39 g/mol
Exact Mass349.07
IUPAC Name[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)c1scnc1-c1ccc(F)cc1
InChIInChI=1S/C19H12FN3OS/c20-15-6-2-13(3-7-15)17-19(25-12-21-17)18(24)14-4-8-16(9-5-14)23-11-1-10-22-23/h1-12H
InChIKeyPOSQZZBRUVPXNU-UHFFFAOYSA-N
XLogP4.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 164671499) is [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)c1scnc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is POSQZZBRUVPXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS/c20-15-6-2-13(3-7-15)17-19(25-12-21-17)18(24)14-4-8-16(9-5-14)23-11-1-10-22-23/h1-12H.
What are the key properties of [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone?
[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 349.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1,3-thiazol-5-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 164671499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).