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

C15H21N7O2S2 — CID 12806016

IUPACN'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/NS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C15H21N7O2S2/c16-13(21-22-26(23,24)12-7-2-1-3-8-12)9-5-4-6-11-10-25-15(19-11)20-14(17)18/h1-3,7-8,10,22H,4-6,9H2,(H2,16,21)(H4,17,18,19,20)
InChIKeyFDIFWYQEJAEQBC-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.01
Rot. Bonds9

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

N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (PubChem CID 12806016) has the molecular formula C15H21N7O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
PubChem CID12806016
Molecular FormulaC15H21N7O2S2
Molecular Weight395.51 g/mol
Exact Mass395.12
IUPAC NameN'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/NS(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C15H21N7O2S2/c16-13(21-22-26(23,24)12-7-2-1-3-8-12)9-5-4-6-11-10-25-15(19-11)20-14(17)18/h1-3,7-8,10,22H,4-6,9H2,(H2,16,21)(H4,17,18,19,20)
InChIKeyFDIFWYQEJAEQBC-UHFFFAOYSA-N
XLogP1.01
TPSA161.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sulfamethylthiazole
CID 68194
N'-(4-aminophenyl)sulfonyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949561
N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
CID 12806004
N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
CID 12806006
N'-(benzenesulfonyl)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949560
N'-(benzenesulfonamido)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 12961487
Sulfamethylthiazole sodium
CID 23674485
Sulfaethylthiazole sodium
CID 23692298
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 742422
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 32281234
N-(4-benzyl-1,3-thiazol-2-yl)methanesulfonamide
CID 86799006
4-amino-N-(4-ethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 112988

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The IUPAC name of N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (CID 12806016) is N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.
What is the SMILES notation for N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The canonical SMILES for N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is NC(N)=Nc1nc(CCCC/C(N)=N/NS(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The InChIKey is FDIFWYQEJAEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S2/c16-13(21-22-26(23,24)12-7-2-1-3-8-12)9-5-4-6-11-10-25-15(19-11)20-14(17)18/h1-3,7-8,10,22H,4-6,9H2,(H2,16,21)(H4,17,18,19,20).
What are the key properties of N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide has a molecular weight of 395.51 g/mol, XLogP of 1.01, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is sourced from PubChem (CID 12806016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).