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

C6H13Cl2N3OS — CID 70593006

IUPAC2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride
SMILESCN1CCS/C1=N\C(=O)CN.Cl.Cl
InChIInChI=1S/C6H11N3OS.2ClH/c1-9-2-3-11-6(9)8-5(10)4-7;;/h2-4,7H2,1H3;2*1H/b8-6-;;
InChIKeyXISSMQLMSBEBCY-OTDBEEGXSA-N
MW246.16 g/mol
LogP0.35
Rot. Bonds1

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

2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride (PubChem CID 70593006) has the molecular formula C6H13Cl2N3OS and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride
PubChem CID70593006
Molecular FormulaC6H13Cl2N3OS
Molecular Weight246.16 g/mol
Exact Mass245.02
IUPAC Name2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride
SMILESCN1CCS/C1=N\C(=O)CN.Cl.Cl
InChIInChI=1S/C6H11N3OS.2ClH/c1-9-2-3-11-6(9)8-5(10)4-7;;/h2-4,7H2,1H3;2*1H/b8-6-;;
InChIKeyXISSMQLMSBEBCY-OTDBEEGXSA-N
XLogP0.35
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-N-(3-methyl-2-thiazolidinylidene)acetamide
CID 3056326
acetamide, N-[3-methyl-2-thiazolidinylidene]-
CID 60102235
2-[2-(Dimethylamino)ethylimino]-1,3-thiazolidin-4-one
CID 139823681
2-[(3-Methyl-1,3-thiazolidin-2-ylidene)amino]acetamide;dihydrochloride
CID 140323946
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N,N-dimethylacetamide
CID 43311088
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(methylamino)acetamide;hydrochloride
CID 133616852
2-[(3-Methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 140323947

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride (CID 70593006) is 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride is CN1CCS/C1=N\C(=O)CN.Cl.Cl.
What is the InChIKey of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride?
The InChIKey is XISSMQLMSBEBCY-OTDBEEGXSA-N. The full InChI is InChI=1S/C6H11N3OS.2ClH/c1-9-2-3-11-6(9)8-5(10)4-7;;/h2-4,7H2,1H3;2*1H/b8-6-;;.
What are the key properties of 2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride?
2-amino-N-(3-methyl-1,3-thiazolidin-2-ylidene)acetamide;dihydrochloride has a molecular weight of 246.16 g/mol, XLogP of 0.35, 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;dihydrochloride is sourced from PubChem (CID 70593006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).