4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine

C8H14N6S — CID 159446545

IUPAC4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine
SMILESCN=C1NCCN1.N#CNC1=NCCS1
InChIInChI=1S/C4H5N3S.C4H9N3/c5-3-7-4-6-1-2-8-4;1-5-4-6-2-3-7-4/h1-2H2,(H,6,7);2-3H2,1H3,(H2,5,6,7)
InChIKeyLSVFUCCOJGCTOV-UHFFFAOYSA-N
MW226.31 g/mol
LogP-0.68
Rot. Bonds

About 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine

4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine (PubChem CID 159446545) has the molecular formula C8H14N6S and a molecular weight of 226.31 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine
PubChem CID159446545
Molecular FormulaC8H14N6S
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine
SMILESCN=C1NCCN1.N#CNC1=NCCS1
InChIInChI=1S/C4H5N3S.C4H9N3/c5-3-7-4-6-1-2-8-4;1-5-4-6-2-3-7-4/h1-2H2,(H,6,7);2-3H2,1H3,(H2,5,6,7)
InChIKeyLSVFUCCOJGCTOV-UHFFFAOYSA-N
XLogP-0.68
TPSA84.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine (CID 159446545) is 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine is CN=C1NCCN1.N#CNC1=NCCS1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine?
The InChIKey is LSVFUCCOJGCTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S.C4H9N3/c5-3-7-4-6-1-2-8-4;1-5-4-6-2-3-7-4/h1-2H2,(H,6,7);2-3H2,1H3,(H2,5,6,7).
What are the key properties of 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine?
4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine has a molecular weight of 226.31 g/mol, XLogP of -0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine is sourced from PubChem (CID 159446545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).