[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol

C11H10FNOS2 — CID 116965875

IUPAC[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
SMILESCOc1ccc(F)cc1-c1csc(CS)n1
InChIInChI=1S/C11H10FNOS2/c1-14-10-3-2-7(12)4-8(10)9-6-16-11(5-15)13-9/h2-4,6,15H,5H2,1H3
InChIKeyXFHJYSFEYUBOMF-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.39
Rot. Bonds3

About [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol

[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol (PubChem CID 116965875) has the molecular formula C11H10FNOS2 and a molecular weight of 255.34 g/mol. Its IUPAC name is [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol.

Molecular Properties

Compound Name[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
PubChem CID116965875
Molecular FormulaC11H10FNOS2
Molecular Weight255.34 g/mol
Exact Mass255.02
IUPAC Name[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
SMILESCOc1ccc(F)cc1-c1csc(CS)n1
InChIInChI=1S/C11H10FNOS2/c1-14-10-3-2-7(12)4-8(10)9-6-16-11(5-15)13-9/h2-4,6,15H,5H2,1H3
InChIKeyXFHJYSFEYUBOMF-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
CID 166379526
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878537
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol?
The IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol (CID 116965875) is [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol.
What is the SMILES notation for [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol?
The canonical SMILES for [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol is COc1ccc(F)cc1-c1csc(CS)n1.
What is the InChIKey of [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol?
The InChIKey is XFHJYSFEYUBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNOS2/c1-14-10-3-2-7(12)4-8(10)9-6-16-11(5-15)13-9/h2-4,6,15H,5H2,1H3.
What are the key properties of [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol?
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol has a molecular weight of 255.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol is sourced from PubChem (CID 116965875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).