N-amino-N'-cycloheptylthiadiazole-5-carboximidamide

C10H17N5S — CID 65215057

IUPACN-amino-N'-cycloheptylthiadiazole-5-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1cnns1
InChIInChI=1S/C10H17N5S/c11-14-10(9-7-12-15-16-9)13-8-5-3-1-2-4-6-8/h7-8H,1-6,11H2,(H,13,14)
InChIKeyZUIWCWIPBVQRMM-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.47
Rot. Bonds2

About N-amino-N'-cycloheptylthiadiazole-5-carboximidamide

N-amino-N'-cycloheptylthiadiazole-5-carboximidamide (PubChem CID 65215057) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is N-amino-N'-cycloheptylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptylthiadiazole-5-carboximidamide
PubChem CID65215057
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC NameN-amino-N'-cycloheptylthiadiazole-5-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1cnns1
InChIInChI=1S/C10H17N5S/c11-14-10(9-7-12-15-16-9)13-8-5-3-1-2-4-6-8/h7-8H,1-6,11H2,(H,13,14)
InChIKeyZUIWCWIPBVQRMM-UHFFFAOYSA-N
XLogP1.47
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptylthiadiazole-5-carboximidamide (CID 65215057) is N-amino-N'-cycloheptylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptylthiadiazole-5-carboximidamide is NN/C(=N\C1CCCCCC1)c1cnns1.
What is the InChIKey of N-amino-N'-cycloheptylthiadiazole-5-carboximidamide?
The InChIKey is ZUIWCWIPBVQRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c11-14-10(9-7-12-15-16-9)13-8-5-3-1-2-4-6-8/h7-8H,1-6,11H2,(H,13,14).
What are the key properties of N-amino-N'-cycloheptylthiadiazole-5-carboximidamide?
N-amino-N'-cycloheptylthiadiazole-5-carboximidamide has a molecular weight of 239.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65215057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).