2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol

C10H7F2NOS2 — CID 116889694

IUPAC2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol
SMILESCOc1cc(F)c(-c2nc(S)cs2)cc1F
InChIInChI=1S/C10H7F2NOS2/c1-14-8-3-6(11)5(2-7(8)12)10-13-9(15)4-16-10/h2-4,15H,1H3
InChIKeyPFNTUGGARYQQDN-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.39
Rot. Bonds2

About 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol

2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol (PubChem CID 116889694) has the molecular formula C10H7F2NOS2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol
PubChem CID116889694
Molecular FormulaC10H7F2NOS2
Molecular Weight259.30 g/mol
Exact Mass258.99
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol
SMILESCOc1cc(F)c(-c2nc(S)cs2)cc1F
InChIInChI=1S/C10H7F2NOS2/c1-14-8-3-6(11)5(2-7(8)12)10-13-9(15)4-16-10/h2-4,15H,1H3
InChIKeyPFNTUGGARYQQDN-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-difluoro-4-methoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967804
2-(2,5-difluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864535
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
2,5-difluoro-4-methoxyaniline
CID 45090681
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
5-(2,5-difluoro-4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116977036
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1-[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 65096351
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
4-bromo-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 79400376

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol (CID 116889694) is 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol is COc1cc(F)c(-c2nc(S)cs2)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol?
The InChIKey is PFNTUGGARYQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NOS2/c1-14-8-3-6(11)5(2-7(8)12)10-13-9(15)4-16-10/h2-4,15H,1H3.
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol?
2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol has a molecular weight of 259.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyphenyl)-1,3-thiazole-4-thiol is sourced from PubChem (CID 116889694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).