2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide

C11H13N3O2S — CID 55119887

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccoc1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H13N3O2S/c1-14(5-8-2-3-16-6-8)10(15)4-9-7-17-11(12)13-9/h2-3,6-7H,4-5H2,1H3,(H2,12,13)
InChIKeyXESSGNSXHSBHOA-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide (PubChem CID 55119887) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
PubChem CID55119887
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccoc1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H13N3O2S/c1-14(5-8-2-3-16-6-8)10(15)4-9-7-17-11(12)13-9/h2-3,6-7H,4-5H2,1H3,(H2,12,13)
InChIKeyXESSGNSXHSBHOA-UHFFFAOYSA-N
XLogP1.52
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide (CID 55119887) is 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide is CN(Cc1ccoc1)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide?
The InChIKey is XESSGNSXHSBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-16-6-8)10(15)4-9-7-17-11(12)13-9/h2-3,6-7H,4-5H2,1H3,(H2,12,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide has a molecular weight of 251.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 55119887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).