N-amino-N'-cyclopentylthiadiazole-5-carboximidamide

C8H13N5S — CID 65215003

IUPACN-amino-N'-cyclopentylthiadiazole-5-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1cnns1
InChIInChI=1S/C8H13N5S/c9-12-8(7-5-10-13-14-7)11-6-3-1-2-4-6/h5-6H,1-4,9H2,(H,11,12)
InChIKeyTUAXATLPKIRSIC-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.69
Rot. Bonds2

About N-amino-N'-cyclopentylthiadiazole-5-carboximidamide

N-amino-N'-cyclopentylthiadiazole-5-carboximidamide (PubChem CID 65215003) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-amino-N'-cyclopentylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentylthiadiazole-5-carboximidamide
PubChem CID65215003
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC NameN-amino-N'-cyclopentylthiadiazole-5-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1cnns1
InChIInChI=1S/C8H13N5S/c9-12-8(7-5-10-13-14-7)11-6-3-1-2-4-6/h5-6H,1-4,9H2,(H,11,12)
InChIKeyTUAXATLPKIRSIC-UHFFFAOYSA-N
XLogP0.69
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.69
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'-cyclopentylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentylthiadiazole-5-carboximidamide (CID 65215003) is N-amino-N'-cyclopentylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentylthiadiazole-5-carboximidamide is NN/C(=N\C1CCCC1)c1cnns1.
What is the InChIKey of N-amino-N'-cyclopentylthiadiazole-5-carboximidamide?
The InChIKey is TUAXATLPKIRSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c9-12-8(7-5-10-13-14-7)11-6-3-1-2-4-6/h5-6H,1-4,9H2,(H,11,12).
What are the key properties of N-amino-N'-cyclopentylthiadiazole-5-carboximidamide?
N-amino-N'-cyclopentylthiadiazole-5-carboximidamide has a molecular weight of 211.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65215003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).