2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole

C15H17ClFNO2S — CID 167489516

IUPAC2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
SMILESCCCc1sc(Cl)nc1-c1ccc(OCCOC)c(F)c1
InChIInChI=1S/C15H17ClFNO2S/c1-3-4-13-14(18-15(16)21-13)10-5-6-12(11(17)9-10)20-8-7-19-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXGOLUBBVLIWRTJ-UHFFFAOYSA-N
MW329.82 g/mol
LogP4.58
Rot. Bonds7

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

2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole (PubChem CID 167489516) has the molecular formula C15H17ClFNO2S and a molecular weight of 329.82 g/mol. Its IUPAC name is 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
PubChem CID167489516
Molecular FormulaC15H17ClFNO2S
Molecular Weight329.82 g/mol
Exact Mass329.07
IUPAC Name2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
SMILESCCCc1sc(Cl)nc1-c1ccc(OCCOC)c(F)c1
InChIInChI=1S/C15H17ClFNO2S/c1-3-4-13-14(18-15(16)21-13)10-5-6-12(11(17)9-10)20-8-7-19-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXGOLUBBVLIWRTJ-UHFFFAOYSA-N
XLogP4.58
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 54.58
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-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole (CID 167489516) is 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole is CCCc1sc(Cl)nc1-c1ccc(OCCOC)c(F)c1.
What is the InChIKey of 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole?
The InChIKey is XGOLUBBVLIWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2S/c1-3-4-13-14(18-15(16)21-13)10-5-6-12(11(17)9-10)20-8-7-19-2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole?
2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole has a molecular weight of 329.82 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole is sourced from PubChem (CID 167489516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).