2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol

C17H16N2OS — CID 25013059

IUPAC2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
SMILESCCCc1cc(-c2nc(-c3ccccc3O)cs2)ccn1
InChIInChI=1S/C17H16N2OS/c1-2-5-13-10-12(8-9-18-13)17-19-15(11-21-17)14-6-3-4-7-16(14)20/h3-4,6-11,20H,2,5H2,1H3
InChIKeyNJCQOVROHVLZKB-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.53
Rot. Bonds4

About 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol

2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol (PubChem CID 25013059) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
PubChem CID25013059
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
SMILESCCCc1cc(-c2nc(-c3ccccc3O)cs2)ccn1
InChIInChI=1S/C17H16N2OS/c1-2-5-13-10-12(8-9-18-13)17-19-15(11-21-17)14-6-3-4-7-16(14)20/h3-4,6-11,20H,2,5H2,1H3
InChIKeyNJCQOVROHVLZKB-UHFFFAOYSA-N
XLogP4.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol (CID 25013059) is 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol is CCCc1cc(-c2nc(-c3ccccc3O)cs2)ccn1.
What is the InChIKey of 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
The InChIKey is NJCQOVROHVLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-5-13-10-12(8-9-18-13)17-19-15(11-21-17)14-6-3-4-7-16(14)20/h3-4,6-11,20H,2,5H2,1H3.
What are the key properties of 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol has a molecular weight of 296.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 25013059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).