N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide

C17H15N5O2S — CID 58285731

IUPACN-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C17H15N5O2S/c1-11(23)20-13-5-2-4-12(8-13)15-10-19-17-22(15)21-16(25-17)18-9-14-6-3-7-24-14/h2-8,10H,9H2,1H3,(H,18,21)(H,20,23)
InChIKeyGYJKOOQZYHHTTO-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.62
Rot. Bonds5

About N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide

N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide (PubChem CID 58285731) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide
PubChem CID58285731
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1
InChIInChI=1S/C17H15N5O2S/c1-11(23)20-13-5-2-4-12(8-13)15-10-19-17-22(15)21-16(25-17)18-9-14-6-3-7-24-14/h2-8,10H,9H2,1H3,(H,18,21)(H,20,23)
InChIKeyGYJKOOQZYHHTTO-UHFFFAOYSA-N
XLogP3.62
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide (CID 58285731) is N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3sc(NCc4ccco4)nn23)c1.
What is the InChIKey of N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide?
The InChIKey is GYJKOOQZYHHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11(23)20-13-5-2-4-12(8-13)15-10-19-17-22(15)21-16(25-17)18-9-14-6-3-7-24-14/h2-8,10H,9H2,1H3,(H,18,21)(H,20,23).
What are the key properties of N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide?
N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 58285731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).