4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole

C13H12ClF2NOS — CID 63269485

IUPAC4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
SMILESFc1ccc(F)c(OCCCc2nc(CCl)cs2)c1
InChIInChI=1S/C13H12ClF2NOS/c14-7-10-8-19-13(17-10)2-1-5-18-12-6-9(15)3-4-11(12)16/h3-4,6,8H,1-2,5,7H2
InChIKeyGHWOYHPCMBLCPD-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.17
Rot. Bonds6

About 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole

4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole (PubChem CID 63269485) has the molecular formula C13H12ClF2NOS and a molecular weight of 303.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
PubChem CID63269485
Molecular FormulaC13H12ClF2NOS
Molecular Weight303.76 g/mol
Exact Mass303.03
IUPAC Name4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
SMILESFc1ccc(F)c(OCCCc2nc(CCl)cs2)c1
InChIInChI=1S/C13H12ClF2NOS/c14-7-10-8-19-13(17-10)2-1-5-18-12-6-9(15)3-4-11(12)16/h3-4,6,8H,1-2,5,7H2
InChIKeyGHWOYHPCMBLCPD-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-[3-(2-fluoro-5-methylphenoxy)propyl]-1,3-thiazole
CID 64856397
4-(chloromethyl)-2-[3-(2,3-difluorophenoxy)propyl]-1,3-thiazole
CID 63038533
4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole
CID 43320175
4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
CID 62785809
2-[3-(3-bromo-4-fluorophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 83234147
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
4-(chloromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-1,3-thiazole
CID 43320155
4-(chloromethyl)-2-[3-(3,4-dimethylphenoxy)propyl]-1,3-thiazole
CID 43320166
4-(chloromethyl)-2-[4-(2-chloro-5-methylphenoxy)butyl]-1,3-thiazole
CID 63548837
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole (CID 63269485) is 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole is Fc1ccc(F)c(OCCCc2nc(CCl)cs2)c1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole?
The InChIKey is GHWOYHPCMBLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NOS/c14-7-10-8-19-13(17-10)2-1-5-18-12-6-9(15)3-4-11(12)16/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole has a molecular weight of 303.76 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 63269485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).