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

C13H12ClF2NOS — CID 62785809

IUPAC4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
SMILESFc1cc(F)cc(OCCCc2nc(CCl)cs2)c1
InChIInChI=1S/C13H12ClF2NOS/c14-7-11-8-19-13(17-11)2-1-3-18-12-5-9(15)4-10(16)6-12/h4-6,8H,1-3,7H2
InChIKeyJRQRVTVXIPTPCW-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.17
Rot. Bonds6

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

4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole (PubChem CID 62785809) has the molecular formula C13H12ClF2NOS and a molecular weight of 303.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
PubChem CID62785809
Molecular FormulaC13H12ClF2NOS
Molecular Weight303.76 g/mol
Exact Mass303.03
IUPAC Name4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
SMILESFc1cc(F)cc(OCCCc2nc(CCl)cs2)c1
InChIInChI=1S/C13H12ClF2NOS/c14-7-11-8-19-13(17-11)2-1-3-18-12-5-9(15)4-10(16)6-12/h4-6,8H,1-3,7H2
InChIKeyJRQRVTVXIPTPCW-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

2-[3-(3-bromo-4-fluorophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 83234147
2-[3-(4-bromo-3,5-dimethylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107725433
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
CID 63269485
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
2-[3-(3-bromophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320173
4-(chloromethyl)-2-[3-(3-methylphenoxy)propyl]-1,3-thiazole
CID 43320168
4-(chloromethyl)-2-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-1,3-thiazole
CID 63549707
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
2-[3-(4-butan-2-ylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107667094

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole (CID 62785809) is 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole is Fc1cc(F)cc(OCCCc2nc(CCl)cs2)c1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole?
The InChIKey is JRQRVTVXIPTPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NOS/c14-7-11-8-19-13(17-11)2-1-3-18-12-5-9(15)4-10(16)6-12/h4-6,8H,1-3,7H2.
What are the key properties of 4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(3,5-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-(3,5-difluorophenoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 62785809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).