N-amino-N'-propylthiadiazole-5-carboximidamide

C6H11N5S — CID 65214946

IUPACN-amino-N'-propylthiadiazole-5-carboximidamide
SMILESCCC/N=C(\NN)c1cnns1
InChIInChI=1S/C6H11N5S/c1-2-3-8-6(10-7)5-4-9-11-12-5/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyACEKCGLJLUSWGT-UHFFFAOYSA-N
MW185.26 g/mol
LogP0.16
Rot. Bonds3

About N-amino-N'-propylthiadiazole-5-carboximidamide

N-amino-N'-propylthiadiazole-5-carboximidamide (PubChem CID 65214946) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is N-amino-N'-propylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propylthiadiazole-5-carboximidamide
PubChem CID65214946
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC NameN-amino-N'-propylthiadiazole-5-carboximidamide
SMILESCCC/N=C(\NN)c1cnns1
InChIInChI=1S/C6H11N5S/c1-2-3-8-6(10-7)5-4-9-11-12-5/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyACEKCGLJLUSWGT-UHFFFAOYSA-N
XLogP0.16
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 50.16
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'-propylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-propylthiadiazole-5-carboximidamide (CID 65214946) is N-amino-N'-propylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-propylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-propylthiadiazole-5-carboximidamide is CCC/N=C(\NN)c1cnns1.
What is the InChIKey of N-amino-N'-propylthiadiazole-5-carboximidamide?
The InChIKey is ACEKCGLJLUSWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5S/c1-2-3-8-6(10-7)5-4-9-11-12-5/h4H,2-3,7H2,1H3,(H,8,10).
What are the key properties of N-amino-N'-propylthiadiazole-5-carboximidamide?
N-amino-N'-propylthiadiazole-5-carboximidamide has a molecular weight of 185.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65214946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).