2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

C12H18IN5OS — CID 111093005

IUPAC2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1cccnc1)N1CCSCC1
InChIInChI=1S/C12H17N5OS.HI/c13-12(17-4-6-19-7-5-17)15-9-11(18)16-10-2-1-3-14-8-10;/h1-3,8H,4-7,9H2,(H2,13,15)(H,16,18);1H
InChIKeyZROJHFOUMPEBNT-UHFFFAOYSA-N
MW407.28 g/mol
LogP1.00
Rot. Bonds3

About 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide

2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (PubChem CID 111093005) has the molecular formula C12H18IN5OS and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
PubChem CID111093005
Molecular FormulaC12H18IN5OS
Molecular Weight407.28 g/mol
Exact Mass407.03
IUPAC Name2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1cccnc1)N1CCSCC1
InChIInChI=1S/C12H17N5OS.HI/c13-12(17-4-6-19-7-5-17)15-9-11(18)16-10-2-1-3-14-8-10;/h1-3,8H,4-7,9H2,(H2,13,15)(H,16,18);1H
InChIKeyZROJHFOUMPEBNT-UHFFFAOYSA-N
XLogP1.00
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093912
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91839263
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093023
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092990
N'-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111083185
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092938
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
CID 120913573
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The IUPAC name of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide (CID 111093005) is 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is I.N/C(=N\CC(=O)Nc1cccnc1)N1CCSCC1.
What is the InChIKey of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
The InChIKey is ZROJHFOUMPEBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS.HI/c13-12(17-4-6-19-7-5-17)15-9-11(18)16-10-2-1-3-14-8-10;/h1-3,8H,4-7,9H2,(H2,13,15)(H,16,18);1H.
What are the key properties of 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide?
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide has a molecular weight of 407.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide is sourced from PubChem (CID 111093005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).