N-amino-N'-cyclohexylthiadiazole-5-carboximidamide

C9H15N5S — CID 65215004

IUPACN-amino-N'-cyclohexylthiadiazole-5-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cnns1
InChIInChI=1S/C9H15N5S/c10-13-9(8-6-11-14-15-8)12-7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,12,13)
InChIKeyZQIDUTZGSBEFPO-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.08
Rot. Bonds2

About N-amino-N'-cyclohexylthiadiazole-5-carboximidamide

N-amino-N'-cyclohexylthiadiazole-5-carboximidamide (PubChem CID 65215004) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is N-amino-N'-cyclohexylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexylthiadiazole-5-carboximidamide
PubChem CID65215004
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC NameN-amino-N'-cyclohexylthiadiazole-5-carboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cnns1
InChIInChI=1S/C9H15N5S/c10-13-9(8-6-11-14-15-8)12-7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,12,13)
InChIKeyZQIDUTZGSBEFPO-UHFFFAOYSA-N
XLogP1.08
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.08
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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Related Compounds

N-amino-N'-methylthiadiazole-5-carboximidamide
CID 65214944
N-amino-N'-ethylthiadiazole-5-carboximidamide
CID 65214945
N-amino-N'-propylthiadiazole-5-carboximidamide
CID 65214946
N-amino-N'-propan-2-ylthiadiazole-5-carboximidamide
CID 65214947
N-amino-N'-cyclopropylthiadiazole-5-carboximidamide
CID 65215001
N-amino-N'-tert-butylthiadiazole-5-carboximidamide
CID 65215002
N-amino-N'-cyclopentylthiadiazole-5-carboximidamide
CID 65215003
N-amino-N'-cycloheptylthiadiazole-5-carboximidamide
CID 65215057

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexylthiadiazole-5-carboximidamide (CID 65215004) is N-amino-N'-cyclohexylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexylthiadiazole-5-carboximidamide is NN/C(=N\C1CCCCC1)c1cnns1.
What is the InChIKey of N-amino-N'-cyclohexylthiadiazole-5-carboximidamide?
The InChIKey is ZQIDUTZGSBEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c10-13-9(8-6-11-14-15-8)12-7-4-2-1-3-5-7/h6-7H,1-5,10H2,(H,12,13).
What are the key properties of N-amino-N'-cyclohexylthiadiazole-5-carboximidamide?
N-amino-N'-cyclohexylthiadiazole-5-carboximidamide has a molecular weight of 225.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65215004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).