4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole

C18H16F2N2O2S — CID 167826148

IUPAC4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole
SMILESFc1cc(F)cc(OC2CCN(Cc3csc(-c4ccoc4)n3)C2)c1
InChIInChI=1S/C18H16F2N2O2S/c19-13-5-14(20)7-17(6-13)24-16-1-3-22(9-16)8-15-11-25-18(21-15)12-2-4-23-10-12/h2,4-7,10-11,16H,1,3,8-9H2
InChIKeyXLZBIRPJMJQREO-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.33
Rot. Bonds5

About 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole

4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole (PubChem CID 167826148) has the molecular formula C18H16F2N2O2S and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole
PubChem CID167826148
Molecular FormulaC18H16F2N2O2S
Molecular Weight362.40 g/mol
Exact Mass362.09
IUPAC Name4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole
SMILESFc1cc(F)cc(OC2CCN(Cc3csc(-c4ccoc4)n3)C2)c1
InChIInChI=1S/C18H16F2N2O2S/c19-13-5-14(20)7-17(6-13)24-16-1-3-22(9-16)8-15-11-25-18(21-15)12-2-4-23-10-12/h2,4-7,10-11,16H,1,3,8-9H2
InChIKeyXLZBIRPJMJQREO-UHFFFAOYSA-N
XLogP4.33
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole?
The IUPAC name of 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole (CID 167826148) is 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole is Fc1cc(F)cc(OC2CCN(Cc3csc(-c4ccoc4)n3)C2)c1.
What is the InChIKey of 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole?
The InChIKey is XLZBIRPJMJQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S/c19-13-5-14(20)7-17(6-13)24-16-1-3-22(9-16)8-15-11-25-18(21-15)12-2-4-23-10-12/h2,4-7,10-11,16H,1,3,8-9H2.
What are the key properties of 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole?
4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole has a molecular weight of 362.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-difluorophenoxy)pyrrolidin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole is sourced from PubChem (CID 167826148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).