N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride

C8H15ClN6S2 — CID 88621736

IUPACN'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride
SMILESCl.N/C=N/CCSCc1csc(N=C(N)N)n1
InChIInChI=1S/C8H14N6S2.ClH/c9-5-12-1-2-15-3-6-4-16-8(13-6)14-7(10)11;/h4-5H,1-3H2,(H2,9,12)(H4,10,11,13,14);1H
InChIKeyZEOLSSQYCLYLIM-UHFFFAOYSA-N
MW294.84 g/mol
LogP0.69
Rot. Bonds6

About N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride

N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride (PubChem CID 88621736) has the molecular formula C8H15ClN6S2 and a molecular weight of 294.84 g/mol. Its IUPAC name is N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride
PubChem CID88621736
Molecular FormulaC8H15ClN6S2
Molecular Weight294.84 g/mol
Exact Mass294.05
IUPAC NameN'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride
SMILESCl.N/C=N/CCSCc1csc(N=C(N)N)n1
InChIInChI=1S/C8H14N6S2.ClH/c9-5-12-1-2-15-3-6-4-16-8(13-6)14-7(10)11;/h4-5H,1-3H2,(H2,9,12)(H4,10,11,13,14);1H
InChIKeyZEOLSSQYCLYLIM-UHFFFAOYSA-N
XLogP0.69
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.84
LogP ≤ 50.69
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride?
The IUPAC name of N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride (CID 88621736) is N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride.
What is the SMILES notation for N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride?
The canonical SMILES for N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride is Cl.N/C=N/CCSCc1csc(N=C(N)N)n1.
What is the InChIKey of N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride?
The InChIKey is ZEOLSSQYCLYLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6S2.ClH/c9-5-12-1-2-15-3-6-4-16-8(13-6)14-7(10)11;/h4-5H,1-3H2,(H2,9,12)(H4,10,11,13,14);1H.
What are the key properties of N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride?
N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride has a molecular weight of 294.84 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide;hydrochloride is sourced from PubChem (CID 88621736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).