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

C17H16N2S — CID 619958

IUPAC4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccccc3)cs2)ccn1
InChIInChI=1S/C17H16N2S/c1-2-6-15-11-14(9-10-18-15)17-19-16(12-20-17)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
InChIKeyYDCHGQNVVRRQLA-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.82
Rot. Bonds4

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

4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 619958) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID619958
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccccc3)cs2)ccn1
InChIInChI=1S/C17H16N2S/c1-2-6-15-11-14(9-10-18-15)17-19-16(12-20-17)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
InChIKeyYDCHGQNVVRRQLA-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 619958) is 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccccc3)cs2)ccn1.
What is the InChIKey of 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is YDCHGQNVVRRQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-6-15-11-14(9-10-18-15)17-19-16(12-20-17)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3.
What are the key properties of 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 280.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 619958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).