4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole

C12H11ClFNOS — CID 102982901

IUPAC4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(F)cc1OCc1nc(CCl)cs1
InChIInChI=1S/C12H11ClFNOS/c1-8-2-3-9(14)4-11(8)16-6-12-15-10(5-13)7-17-12/h2-4,7H,5-6H2,1H3
InChIKeyMKHQTYMPCNASSR-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.91
Rot. Bonds4

About 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole

4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 102982901) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
PubChem CID102982901
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(F)cc1OCc1nc(CCl)cs1
InChIInChI=1S/C12H11ClFNOS/c1-8-2-3-9(14)4-11(8)16-6-12-15-10(5-13)7-17-12/h2-4,7H,5-6H2,1H3
InChIKeyMKHQTYMPCNASSR-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
4-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 102980015
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
CID 63269485
2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94280933
2-[4-(5-bromo-2-methylphenoxy)butyl]-4-(chloromethyl)-1,3-thiazole
CID 107285243
5-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102990539
2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole
CID 65201654
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 42837275
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
CID 107888398

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole (CID 102982901) is 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole is Cc1ccc(F)cc1OCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is MKHQTYMPCNASSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-8-2-3-9(14)4-11(8)16-6-12-15-10(5-13)7-17-12/h2-4,7H,5-6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole?
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 271.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 102982901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).