4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole

C15H17ClFNOS — CID 63935946

IUPAC4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole
SMILESFc1ccccc1COCCCCc1nc(CCl)cs1
InChIInChI=1S/C15H17ClFNOS/c16-9-13-11-20-15(18-13)7-3-4-8-19-10-12-5-1-2-6-14(12)17/h1-2,5-6,11H,3-4,7-10H2
InChIKeyHXENFEKVTLQTGR-UHFFFAOYSA-N
MW313.82 g/mol
LogP4.56
Rot. Bonds8

About 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole

4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole (PubChem CID 63935946) has the molecular formula C15H17ClFNOS and a molecular weight of 313.82 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole
PubChem CID63935946
Molecular FormulaC15H17ClFNOS
Molecular Weight313.82 g/mol
Exact Mass313.07
IUPAC Name4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole
SMILESFc1ccccc1COCCCCc1nc(CCl)cs1
InChIInChI=1S/C15H17ClFNOS/c16-9-13-11-20-15(18-13)7-3-4-8-19-10-12-5-1-2-6-14(12)17/h1-2,5-6,11H,3-4,7-10H2
InChIKeyHXENFEKVTLQTGR-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 54.56
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-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
CID 54966697
2-[4-[(3-bromophenyl)methoxy]butyl]-4-(chloromethyl)-1,3-thiazole
CID 82823971
4-(chloromethyl)-2-[3-(2,3-difluorophenoxy)propyl]-1,3-thiazole
CID 63038533
4-(chloromethyl)-2-[2-(pentoxymethyl)phenyl]-1,3-thiazole
CID 43275214
4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole
CID 43138174
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765
4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
CID 62785809
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
CID 63269485
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
2-[3-(3-bromo-4-fluorophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 83234147
4-(chloromethyl)-2-[3-(2-fluoro-5-methylphenoxy)propyl]-1,3-thiazole
CID 64856397

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole (CID 63935946) is 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole is Fc1ccccc1COCCCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole?
The InChIKey is HXENFEKVTLQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNOS/c16-9-13-11-20-15(18-13)7-3-4-8-19-10-12-5-1-2-6-14(12)17/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole?
4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole has a molecular weight of 313.82 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[4-[(2-fluorophenyl)methoxy]butyl]-1,3-thiazole is sourced from PubChem (CID 63935946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).