2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole

C10H7ClFNOS — CID 130552659

IUPAC2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccccc1OCc1csc(Cl)n1
InChIInChI=1S/C10H7ClFNOS/c11-10-13-7(6-15-10)5-14-9-4-2-1-3-8(9)12/h1-4,6H,5H2
InChIKeyVECOFZVEOZZBRU-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole

2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 130552659) has the molecular formula C10H7ClFNOS and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID130552659
Molecular FormulaC10H7ClFNOS
Molecular Weight243.69 g/mol
Exact Mass242.99
IUPAC Name2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccccc1OCc1csc(Cl)n1
InChIInChI=1S/C10H7ClFNOS/c11-10-13-7(6-15-10)5-14-9-4-2-1-3-8(9)12/h1-4,6H,5H2
InChIKeyVECOFZVEOZZBRU-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054
5-chloro-2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255731
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
4-[(4-chloro-2-fluorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 114267798
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740
1-[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907979
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole (CID 130552659) is 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole is Fc1ccccc1OCc1csc(Cl)n1.
What is the InChIKey of 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is VECOFZVEOZZBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNOS/c11-10-13-7(6-15-10)5-14-9-4-2-1-3-8(9)12/h1-4,6H,5H2.
What are the key properties of 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole?
2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 243.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 130552659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).