4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

C17H13F2NO2S — CID 2742375

IUPAC4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(OCc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C17H13F2NO2S/c1-21-12-3-5-13(6-4-12)22-9-17-20-16(10-23-17)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3
InChIKeyUSLOOPUHVUCYFY-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.68
Rot. Bonds5

About 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole (PubChem CID 2742375) has the molecular formula C17H13F2NO2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
PubChem CID2742375
Molecular FormulaC17H13F2NO2S
Molecular Weight333.36 g/mol
Exact Mass333.06
IUPAC Name4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
SMILESCOc1ccc(OCc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C17H13F2NO2S/c1-21-12-3-5-13(6-4-12)22-9-17-20-16(10-23-17)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3
InChIKeyUSLOOPUHVUCYFY-UHFFFAOYSA-N
XLogP4.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole (CID 2742375) is 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole is COc1ccc(OCc2nc(-c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
The InChIKey is USLOOPUHVUCYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S/c1-21-12-3-5-13(6-4-12)22-9-17-20-16(10-23-17)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole?
4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole has a molecular weight of 333.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 2742375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).