[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C18H25N3O2S — CID 111753130

IUPAC[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C18H25N3O2S/c22-11-17-4-2-7-21(17)10-16-3-1-6-20(16)9-15-13-24-18(19-15)14-5-8-23-12-14/h5,8,12-13,16-17,22H,1-4,6-7,9-11H2
InChIKeyYXWASXZCFGZDLF-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.82
Rot. Bonds6

About [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 111753130) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID111753130
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C18H25N3O2S/c22-11-17-4-2-7-21(17)10-16-3-1-6-20(16)9-15-13-24-18(19-15)14-5-8-23-12-14/h5,8,12-13,16-17,22H,1-4,6-7,9-11H2
InChIKeyYXWASXZCFGZDLF-UHFFFAOYSA-N
XLogP2.82
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 111753130) is [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1Cc1csc(-c2ccoc2)n1.
What is the InChIKey of [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is YXWASXZCFGZDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-11-17-4-2-7-21(17)10-16-3-1-6-20(16)9-15-13-24-18(19-15)14-5-8-23-12-14/h5,8,12-13,16-17,22H,1-4,6-7,9-11H2.
What are the key properties of [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 347.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111753130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).