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

C17H15FN2S — CID 90958489

IUPAC4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
SMILESCCCc1ccncc1-c1nc(-c2ccccc2F)cs1
InChIInChI=1S/C17H15FN2S/c1-2-5-12-8-9-19-10-14(12)17-20-16(11-21-17)13-6-3-4-7-15(13)18/h3-4,6-11H,2,5H2,1H3
InChIKeyKVLFNFLPDWSDFS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.96
Rot. Bonds4

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

4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole (PubChem CID 90958489) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
PubChem CID90958489
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
SMILESCCCc1ccncc1-c1nc(-c2ccccc2F)cs1
InChIInChI=1S/C17H15FN2S/c1-2-5-12-8-9-19-10-14(12)17-20-16(11-21-17)13-6-3-4-7-15(13)18/h3-4,6-11H,2,5H2,1H3
InChIKeyKVLFNFLPDWSDFS-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-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole (CID 90958489) is 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole is CCCc1ccncc1-c1nc(-c2ccccc2F)cs1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is KVLFNFLPDWSDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-2-5-12-8-9-19-10-14(12)17-20-16(11-21-17)13-6-3-4-7-15(13)18/h3-4,6-11H,2,5H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole?
4-(2-fluorophenyl)-2-(4-propyl-3-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-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 90958489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).