N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H20N4O2S — CID 146419492

IUPACN-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC2c2cnc3c(c2)OCC3)s1
InChIInChI=1S/C17H20N4O2S/c1-11(22)20-17-19-9-13(24-17)10-21-5-2-3-15(21)12-7-16-14(18-8-12)4-6-23-16/h7-9,15H,2-6,10H2,1H3,(H,19,20,22)
InChIKeyBRXMQAARPXJCJA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.77
Rot. Bonds4

About N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146419492) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146419492
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC2c2cnc3c(c2)OCC3)s1
InChIInChI=1S/C17H20N4O2S/c1-11(22)20-17-19-9-13(24-17)10-21-5-2-3-15(21)12-7-16-14(18-8-12)4-6-23-16/h7-9,15H,2-6,10H2,1H3,(H,19,20,22)
InChIKeyBRXMQAARPXJCJA-UHFFFAOYSA-N
XLogP2.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146419492) is N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC2c2cnc3c(c2)OCC3)s1.
What is the InChIKey of N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BRXMQAARPXJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(22)20-17-19-9-13(24-17)10-21-5-2-3-15(21)12-7-16-14(18-8-12)4-6-23-16/h7-9,15H,2-6,10H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146419492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).