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

C15H27N7O2S2 — CID 12806008

IUPACN'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)NC2CCCCC2)cs1
InChIInChI=1S/C15H27N7O2S2/c16-13(22-26(23,24)21-11-6-2-1-3-7-11)9-5-4-8-12-10-25-15(19-12)20-14(17)18/h10-11,21H,1-9H2,(H2,16,22)(H4,17,18,19,20)
InChIKeyHXFROBVAPFCXLD-UHFFFAOYSA-N
MW401.56 g/mol
LogP1.29
Rot. Bonds9

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

N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (PubChem CID 12806008) has the molecular formula C15H27N7O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.

Molecular Properties

Compound NameN'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
PubChem CID12806008
Molecular FormulaC15H27N7O2S2
Molecular Weight401.56 g/mol
Exact Mass401.17
IUPAC NameN'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)NC2CCCCC2)cs1
InChIInChI=1S/C15H27N7O2S2/c16-13(22-26(23,24)21-11-6-2-1-3-7-11)9-5-4-8-12-10-25-15(19-12)20-14(17)18/h10-11,21H,1-9H2,(H2,16,22)(H4,17,18,19,20)
InChIKeyHXFROBVAPFCXLD-UHFFFAOYSA-N
XLogP1.29
TPSA161.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.29
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 N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The IUPAC name of N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (CID 12806008) is N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.
What is the SMILES notation for N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The canonical SMILES for N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is NC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)NC2CCCCC2)cs1.
What is the InChIKey of N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The InChIKey is HXFROBVAPFCXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O2S2/c16-13(22-26(23,24)21-11-6-2-1-3-7-11)9-5-4-8-12-10-25-15(19-12)20-14(17)18/h10-11,21H,1-9H2,(H2,16,22)(H4,17,18,19,20).
What are the key properties of N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide has a molecular weight of 401.56 g/mol, XLogP of 1.29, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylsulfamoyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is sourced from PubChem (CID 12806008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).