N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide

C11H13N3O2S — CID 22413713

IUPACN-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide
SMILESCC(=O)NCc1oc(-c2csc(N)n2)cc1C
InChIInChI=1S/C11H13N3O2S/c1-6-3-9(8-5-17-11(12)14-8)16-10(6)4-13-7(2)15/h3,5H,4H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyORSWXEYCRRJPNG-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.93
Rot. Bonds3

About N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide

N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide (PubChem CID 22413713) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide
PubChem CID22413713
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide
SMILESCC(=O)NCc1oc(-c2csc(N)n2)cc1C
InChIInChI=1S/C11H13N3O2S/c1-6-3-9(8-5-17-11(12)14-8)16-10(6)4-13-7(2)15/h3,5H,4H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyORSWXEYCRRJPNG-UHFFFAOYSA-N
XLogP1.93
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide (CID 22413713) is N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide is CC(=O)NCc1oc(-c2csc(N)n2)cc1C.
What is the InChIKey of N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide?
The InChIKey is ORSWXEYCRRJPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-3-9(8-5-17-11(12)14-8)16-10(6)4-13-7(2)15/h3,5H,4H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide?
N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide is sourced from PubChem (CID 22413713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).