2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide

C6H9N3OS — CID 43840159

IUPAC2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cnc(N)s1
InChIInChI=1S/C6H9N3OS/c1-8-5(10)2-4-3-9-6(7)11-4/h3H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyURBCOBZKFMVRRL-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.01
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide

2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide (PubChem CID 43840159) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
PubChem CID43840159
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cnc(N)s1
InChIInChI=1S/C6H9N3OS/c1-8-5(10)2-4-3-9-6(7)11-4/h3H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyURBCOBZKFMVRRL-UHFFFAOYSA-N
XLogP0.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide (CID 43840159) is 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide is CNC(=O)Cc1cnc(N)s1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide?
The InChIKey is URBCOBZKFMVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-8-5(10)2-4-3-9-6(7)11-4/h3H,2H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide?
2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide has a molecular weight of 171.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 43840159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).