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

C15H20N6O2S2 — CID 12806006

IUPACN'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C15H20N6O2S2/c16-13(21-25(22,23)12-7-2-1-3-8-12)9-5-4-6-11-10-24-15(19-11)20-14(17)18/h1-3,7-8,10H,4-6,9H2,(H2,16,21)(H4,17,18,19,20)
InChIKeyPNMMCQREWCZHMQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.51
Rot. Bonds8

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

N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (PubChem CID 12806006) has the molecular formula C15H20N6O2S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
PubChem CID12806006
Molecular FormulaC15H20N6O2S2
Molecular Weight380.50 g/mol
Exact Mass380.11
IUPAC NameN'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C15H20N6O2S2/c16-13(21-25(22,23)12-7-2-1-3-8-12)9-5-4-6-11-10-24-15(19-11)20-14(17)18/h1-3,7-8,10H,4-6,9H2,(H2,16,21)(H4,17,18,19,20)
InChIKeyPNMMCQREWCZHMQ-UHFFFAOYSA-N
XLogP1.51
TPSA149.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.51
H-Bond Donors ≤ 53
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'}

Analyze N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949560
N'-(benzylsulfamoyl)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 12881451
N'-(benzenesulfonamido)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
CID 12806016
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
4-(benzenesulfonylmethyl)-N-propyl-1,3-thiazol-2-amine
CID 72010886
4-[1-(4-Methylbenzenesulfonyl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 16768936

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The IUPAC name of N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (CID 12806006) is N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is NC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The InChIKey is PNMMCQREWCZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S2/c16-13(21-25(22,23)12-7-2-1-3-8-12)9-5-4-6-11-10-24-15(19-11)20-14(17)18/h1-3,7-8,10H,4-6,9H2,(H2,16,21)(H4,17,18,19,20).
What are the key properties of N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide has a molecular weight of 380.50 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is sourced from PubChem (CID 12806006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).