[[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium

C10H6BrF2NO3PS+ — CID 67842601

IUPAC[[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(F)c1nc(-c2ccc(F)cc2)c(Br)s1
InChIInChI=1S/C10H5BrF2NO3PS/c11-8-7(5-1-3-6(12)4-2-5)14-10(19-8)9(13)17-18(15)16/h1-4,9H/p+1
InChIKeyPSPKBOASYQUKQF-UHFFFAOYSA-O
MW369.10 g/mol
LogP4.35
Rot. Bonds4

About [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium

[[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium (PubChem CID 67842601) has the molecular formula C10H6BrF2NO3PS+ and a molecular weight of 369.10 g/mol. Its IUPAC name is [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium
PubChem CID67842601
Molecular FormulaC10H6BrF2NO3PS+
Molecular Weight369.10 g/mol
Exact Mass367.90
IUPAC Name[[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(F)c1nc(-c2ccc(F)cc2)c(Br)s1
InChIInChI=1S/C10H5BrF2NO3PS/c11-8-7(5-1-3-6(12)4-2-5)14-10(19-8)9(13)17-18(15)16/h1-4,9H/p+1
InChIKeyPSPKBOASYQUKQF-UHFFFAOYSA-O
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.10
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium 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

2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
5-bromo-2-[1-fluoro-2-(2-methylphenyl)ethenyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 67752747
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
5-bromo-4-(4-fluorophenyl)-2-(1-fluoro-2-phenylethenyl)-1,3-thiazole;3-methoxyprop-2-enoic acid
CID 67752847
[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine
CID 61339245
5-bromo-2-[3-bromo-5-(4-fluorophenyl)pyrazol-1-yl]-4-(4-bromophenyl)-1,3-thiazole
CID 5221998
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337687
2-[4-(4-fluorophenyl)-2-[(4-hydroxyphenyl)-phenylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 46230375
methyl 2-[2-[2-[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluoroethenyl]phenyl]-3-methoxyprop-2-enoate
CID 77348215
2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536
3-chloro-2,6-bis(4-fluorophenyl)pyridine
CID 46313516

Frequently Asked Questions

What is the IUPAC name of [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium?
The IUPAC name of [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium (CID 67842601) is [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium is O=[P+](O)OC(F)c1nc(-c2ccc(F)cc2)c(Br)s1.
What is the InChIKey of [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium?
The InChIKey is PSPKBOASYQUKQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H5BrF2NO3PS/c11-8-7(5-1-3-6(12)4-2-5)14-10(19-8)9(13)17-18(15)16/h1-4,9H/p+1.
What are the key properties of [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium?
[[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium has a molecular weight of 369.10 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-bromo-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-fluoromethoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 67842601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).