N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide

C16H15N3O3S — CID 110342067

IUPACN-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2cccnc2)n1)NCc1ccco1
InChIInChI=1S/C16H15N3O3S/c20-15(18-9-14-4-2-6-21-14)7-12-11-23-16(19-12)10-22-13-3-1-5-17-8-13/h1-6,8,11H,7,9-10H2,(H,18,20)
InChIKeyHERWBNBQWMHGIL-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.57
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide

N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110342067) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110342067
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2cccnc2)n1)NCc1ccco1
InChIInChI=1S/C16H15N3O3S/c20-15(18-9-14-4-2-6-21-14)7-12-11-23-16(19-12)10-22-13-3-1-5-17-8-13/h1-6,8,11H,7,9-10H2,(H,18,20)
InChIKeyHERWBNBQWMHGIL-UHFFFAOYSA-N
XLogP2.57
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110342067) is N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(COc2cccnc2)n1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HERWBNBQWMHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-15(18-9-14-4-2-6-21-14)7-12-11-23-16(19-12)10-22-13-3-1-5-17-8-13/h1-6,8,11H,7,9-10H2,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110342067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).