2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole

C23H18FNOS — CID 22406588

IUPAC2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole
SMILESC/C=C(/c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H18FNOS/c1-2-22(23-25-9-10-27-23)19-12-20(24)14-21(13-19)26-15-16-7-8-17-5-3-4-6-18(17)11-16/h2-14H,15H2,1H3/b22-2-
InChIKeyPHMPXNNMYVKUOB-KJDXXRKVSA-N
MW375.47 g/mol
LogP6.47
Rot. Bonds5

About 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole

2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole (PubChem CID 22406588) has the molecular formula C23H18FNOS and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole
PubChem CID22406588
Molecular FormulaC23H18FNOS
Molecular Weight375.47 g/mol
Exact Mass375.11
IUPAC Name2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole
SMILESC/C=C(/c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C23H18FNOS/c1-2-22(23-25-9-10-27-23)19-12-20(24)14-21(13-19)26-15-16-7-8-17-5-3-4-6-18(17)11-16/h2-14H,15H2,1H3/b22-2-
InChIKeyPHMPXNNMYVKUOB-KJDXXRKVSA-N
XLogP6.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole 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 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole?
The IUPAC name of 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole (CID 22406588) is 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole is C/C=C(/c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole?
The InChIKey is PHMPXNNMYVKUOB-KJDXXRKVSA-N. The full InChI is InChI=1S/C23H18FNOS/c1-2-22(23-25-9-10-27-23)19-12-20(24)14-21(13-19)26-15-16-7-8-17-5-3-4-6-18(17)11-16/h2-14H,15H2,1H3/b22-2-.
What are the key properties of 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole?
2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole has a molecular weight of 375.47 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 22406588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).