2-(1,2-thiazol-3-ylmethylamino)acetamide

C6H9N3OS — CID 82412089

IUPAC2-(1,2-thiazol-3-ylmethylamino)acetamide
SMILESNC(=O)CNCc1ccsn1
InChIInChI=1S/C6H9N3OS/c7-6(10)4-8-3-5-1-2-11-9-5/h1-2,8H,3-4H2,(H2,7,10)
InChIKeyKXOQKPUJVFONSS-UHFFFAOYSA-N
MW171.23 g/mol
LogP-0.28
Rot. Bonds4

About 2-(1,2-thiazol-3-ylmethylamino)acetamide

2-(1,2-thiazol-3-ylmethylamino)acetamide (PubChem CID 82412089) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(1,2-thiazol-3-ylmethylamino)acetamide
PubChem CID82412089
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name2-(1,2-thiazol-3-ylmethylamino)acetamide
SMILESNC(=O)CNCc1ccsn1
InChIInChI=1S/C6H9N3OS/c7-6(10)4-8-3-5-1-2-11-9-5/h1-2,8H,3-4H2,(H2,7,10)
InChIKeyKXOQKPUJVFONSS-UHFFFAOYSA-N
XLogP-0.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-ylmethylamino)acetamide?
The IUPAC name of 2-(1,2-thiazol-3-ylmethylamino)acetamide (CID 82412089) is 2-(1,2-thiazol-3-ylmethylamino)acetamide.
What is the SMILES notation for 2-(1,2-thiazol-3-ylmethylamino)acetamide?
The canonical SMILES for 2-(1,2-thiazol-3-ylmethylamino)acetamide is NC(=O)CNCc1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-ylmethylamino)acetamide?
The InChIKey is KXOQKPUJVFONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-6(10)4-8-3-5-1-2-11-9-5/h1-2,8H,3-4H2,(H2,7,10).
What are the key properties of 2-(1,2-thiazol-3-ylmethylamino)acetamide?
2-(1,2-thiazol-3-ylmethylamino)acetamide has a molecular weight of 171.23 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-ylmethylamino)acetamide is sourced from PubChem (CID 82412089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).