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

C12H23N7O2S2 — CID 12806001

IUPAC5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide
SMILESCCCNS(=O)(=O)/N=C(\N)CCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C12H23N7O2S2/c1-2-7-16-23(20,21)19-10(13)6-4-3-5-9-8-22-12(17-9)18-11(14)15/h8,16H,2-7H2,1H3,(H2,13,19)(H4,14,15,17,18)
InChIKeyHBCXAVLRBFHMFX-UHFFFAOYSA-N
MW361.50 g/mol
LogP0.36
Rot. Bonds10

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

5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide (PubChem CID 12806001) has the molecular formula C12H23N7O2S2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide.

Molecular Properties

Compound Name5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide
PubChem CID12806001
Molecular FormulaC12H23N7O2S2
Molecular Weight361.50 g/mol
Exact Mass361.14
IUPAC Name5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide
SMILESCCCNS(=O)(=O)/N=C(\N)CCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C12H23N7O2S2/c1-2-7-16-23(20,21)19-10(13)6-4-3-5-9-8-22-12(17-9)18-11(14)15/h8,16H,2-7H2,1H3,(H2,13,19)(H4,14,15,17,18)
InChIKeyHBCXAVLRBFHMFX-UHFFFAOYSA-N
XLogP0.36
TPSA161.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 50.36
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'-(propylsulfamoyl)pentanimidamide?
The IUPAC name of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide (CID 12806001) is 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide.
What is the SMILES notation for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide?
The canonical SMILES for 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide is CCCNS(=O)(=O)/N=C(\N)CCCCc1csc(N=C(N)N)n1.
What is the InChIKey of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide?
The InChIKey is HBCXAVLRBFHMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O2S2/c1-2-7-16-23(20,21)19-10(13)6-4-3-5-9-8-22-12(17-9)18-11(14)15/h8,16H,2-7H2,1H3,(H2,13,19)(H4,14,15,17,18).
What are the key properties of 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide?
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide has a molecular weight of 361.50 g/mol, XLogP of 0.36, 10 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'-(propylsulfamoyl)pentanimidamide is sourced from PubChem (CID 12806001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).