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

C15H21N7O2S2 — CID 12806004

IUPACN'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccc(N)cc2)cs1
InChIInChI=1S/C15H21N7O2S2/c16-10-5-7-12(8-6-10)26(23,24)22-13(17)4-2-1-3-11-9-25-15(20-11)21-14(18)19/h5-9H,1-4,16H2,(H2,17,22)(H4,18,19,20,21)
InChIKeyLZTVMCHDSASKII-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.09
Rot. Bonds8

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

N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (PubChem CID 12806004) has the molecular formula C15H21N7O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
PubChem CID12806004
Molecular FormulaC15H21N7O2S2
Molecular Weight395.51 g/mol
Exact Mass395.12
IUPAC NameN'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide
SMILESNC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccc(N)cc2)cs1
InChIInChI=1S/C15H21N7O2S2/c16-10-5-7-12(8-6-10)26(23,24)22-13(17)4-2-1-3-11-9-25-15(20-11)21-14(18)19/h5-9H,1-4,16H2,(H2,17,22)(H4,18,19,20,21)
InChIKeyLZTVMCHDSASKII-UHFFFAOYSA-N
XLogP1.09
TPSA175.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfathiazole
CID 5340
Sodium sulfathiazole
CID 12285822
Sulfamethylthiazole
CID 68194
4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide
CID 1632898
4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
CID 44298787
4-[(4-Piperidin-1-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 127045037
4-[[2-(4-Sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide
CID 127045237
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 892402
N'-(4-aminophenyl)sulfonyl-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949561
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
4-[methyl(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
CID 44298769

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The IUPAC name of N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide (CID 12806004) is N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide.
What is the SMILES notation for N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The canonical SMILES for N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is NC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)c2ccc(N)cc2)cs1.
What is the InChIKey of N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
The InChIKey is LZTVMCHDSASKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S2/c16-10-5-7-12(8-6-10)26(23,24)22-13(17)4-2-1-3-11-9-25-15(20-11)21-14(18)19/h5-9H,1-4,16H2,(H2,17,22)(H4,18,19,20,21).
What are the key properties of N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide?
N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide has a molecular weight of 395.51 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)sulfonyl-5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]pentanimidamide is sourced from PubChem (CID 12806004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).