4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C17H15FN2S — CID 5306660

IUPAC4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(F)cc3)cs2)ccn1
InChIInChI=1S/C17H15FN2S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3H2,1H3
InChIKeyQKZNZFDVQQFDLV-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.96
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 5306660) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID5306660
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(F)cc3)cs2)ccn1
InChIInChI=1S/C17H15FN2S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3H2,1H3
InChIKeyQKZNZFDVQQFDLV-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 5306660) is 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(F)cc3)cs2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is QKZNZFDVQQFDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 298.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 5306660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).