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

C17H16N2OS — CID 25013058

IUPAC3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
SMILESCCCc1cc(-c2nc(-c3cccc(O)c3)cs2)ccn1
InChIInChI=1S/C17H16N2OS/c1-2-4-14-9-13(7-8-18-14)17-19-16(11-21-17)12-5-3-6-15(20)10-12/h3,5-11,20H,2,4H2,1H3
InChIKeyHFSRZCFVFOUVKU-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.53
Rot. Bonds4

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

3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol (PubChem CID 25013058) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
PubChem CID25013058
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
SMILESCCCc1cc(-c2nc(-c3cccc(O)c3)cs2)ccn1
InChIInChI=1S/C17H16N2OS/c1-2-4-14-9-13(7-8-18-14)17-19-16(11-21-17)12-5-3-6-15(20)10-12/h3,5-11,20H,2,4H2,1H3
InChIKeyHFSRZCFVFOUVKU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol (CID 25013058) is 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol is CCCc1cc(-c2nc(-c3cccc(O)c3)cs2)ccn1.
What is the InChIKey of 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
The InChIKey is HFSRZCFVFOUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-4-14-9-13(7-8-18-14)17-19-16(11-21-17)12-5-3-6-15(20)10-12/h3,5-11,20H,2,4H2,1H3.
What are the key properties of 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol?
3-[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 3-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 25013058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).