3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

C16H21N3O2S — CID 56791002

IUPAC3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCc1ccco1)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H21N3O2S/c20-15(6-5-14-4-3-11-21-14)17-8-7-13-12-22-16(18-13)19-9-1-2-10-19/h3-4,11-12H,1-2,5-10H2,(H,17,20)
InChIKeySWHRKKVAUBSOBG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.63
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide

3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 56791002) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID56791002
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCc1ccco1)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H21N3O2S/c20-15(6-5-14-4-3-11-21-14)17-8-7-13-12-22-16(18-13)19-9-1-2-10-19/h3-4,11-12H,1-2,5-10H2,(H,17,20)
InChIKeySWHRKKVAUBSOBG-UHFFFAOYSA-N
XLogP2.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 56791002) is 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCc1ccco1)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is SWHRKKVAUBSOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-15(6-5-14-4-3-11-21-14)17-8-7-13-12-22-16(18-13)19-9-1-2-10-19/h3-4,11-12H,1-2,5-10H2,(H,17,20).
What are the key properties of 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 56791002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).