2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole

C15H15BrFNO2S — CID 167489398

IUPAC2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole
SMILESCOCCOc1ccc(-c2nc(Br)sc2C2CC2)c(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-19-6-7-20-10-4-5-11(12(17)8-10)13-14(9-2-3-9)21-15(16)18-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyIDDXFXWMELMOOI-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.61
Rot. Bonds6

About 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole

2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole (PubChem CID 167489398) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole
PubChem CID167489398
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole
SMILESCOCCOc1ccc(-c2nc(Br)sc2C2CC2)c(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-19-6-7-20-10-4-5-11(12(17)8-10)13-14(9-2-3-9)21-15(16)18-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyIDDXFXWMELMOOI-UHFFFAOYSA-N
XLogP4.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole (CID 167489398) is 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole is COCCOc1ccc(-c2nc(Br)sc2C2CC2)c(F)c1.
What is the InChIKey of 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole?
The InChIKey is IDDXFXWMELMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-19-6-7-20-10-4-5-11(12(17)8-10)13-14(9-2-3-9)21-15(16)18-13/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole?
2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole has a molecular weight of 372.26 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 167489398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).