2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide

C6H11N3OS — CID 3056326

IUPAC2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
SMILESCN1CCS/C1=N\C(=O)CN
InChIInChI=1S/C6H11N3OS/c1-9-2-3-11-6(9)8-5(10)4-7/h2-4,7H2,1H3/b8-6-
InChIKeyJROZOHICAYMYHK-VURMDHGXSA-N
MW173.24 g/mol
LogP-0.49
Rot. Bonds1

About 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide

2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide (PubChem CID 3056326) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
PubChem CID3056326
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide
SMILESCN1CCS/C1=N\C(=O)CN
InChIInChI=1S/C6H11N3OS/c1-9-2-3-11-6(9)8-5(10)4-7/h2-4,7H2,1H3/b8-6-
InChIKeyJROZOHICAYMYHK-VURMDHGXSA-N
XLogP-0.49
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
The IUPAC name of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide (CID 3056326) is 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide.
What is the SMILES notation for 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
The canonical SMILES for 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide is CN1CCS/C1=N\C(=O)CN.
What is the InChIKey of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
The InChIKey is JROZOHICAYMYHK-VURMDHGXSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-9-2-3-11-6(9)8-5(10)4-7/h2-4,7H2,1H3/b8-6-.
What are the key properties of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide?
2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide has a molecular weight of 173.24 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide is sourced from PubChem (CID 3056326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).