5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide

C9H17N7O2S2 — CID 12918383

IUPAC5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(N)(=O)=O)cs1
InChIInChI=1S/C9H17N7O2S2/c10-7(16-20(13,17)18)4-2-1-3-6-5-19-9(14-6)15-8(11)12/h5H,1-4H2,(H2,10,16)(H2,13,17,18)(H4,11,12,14,15)
InChIKeyYUMVKQPJJYDEPV-UHFFFAOYSA-N
MW319.42 g/mol
LogP-0.68
Rot. Bonds7

About 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide

5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide (PubChem CID 12918383) has the molecular formula C9H17N7O2S2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide.

Molecular Properties

Compound Name5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide
PubChem CID12918383
Molecular FormulaC9H17N7O2S2
Molecular Weight319.42 g/mol
Exact Mass319.09
IUPAC Name5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(N)(=O)=O)cs1
InChIInChI=1S/C9H17N7O2S2/c10-7(16-20(13,17)18)4-2-1-3-6-5-19-9(14-6)15-8(11)12/h5H,1-4H2,(H2,10,16)(H2,13,17,18)(H4,11,12,14,15)
InChIKeyYUMVKQPJJYDEPV-UHFFFAOYSA-N
XLogP-0.68
TPSA175.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide?
The IUPAC name of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide (CID 12918383) is 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide.
What is the SMILES notation for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide?
The canonical SMILES for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide is NC(N)=Nc1nc(CCCC/C(N)=N/S(N)(=O)=O)cs1.
What is the InChIKey of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide?
The InChIKey is YUMVKQPJJYDEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7O2S2/c10-7(16-20(13,17)18)4-2-1-3-6-5-19-9(14-6)15-8(11)12/h5H,1-4H2,(H2,10,16)(H2,13,17,18)(H4,11,12,14,15).
What are the key properties of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide?
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide has a molecular weight of 319.42 g/mol, XLogP of -0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-sulfamoylpentanimidamide is sourced from PubChem (CID 12918383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).