N-amino-N'-tert-butylthiadiazole-5-carboximidamide

C7H13N5S — CID 65215002

IUPACN-amino-N'-tert-butylthiadiazole-5-carboximidamide
SMILESCC(C)(C)/N=C(/NN)c1cnns1
InChIInChI=1S/C7H13N5S/c1-7(2,3)10-6(11-8)5-4-9-12-13-5/h4H,8H2,1-3H3,(H,10,11)
InChIKeyZTIONFLLBVBYEC-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.55
Rot. Bonds1

About N-amino-N'-tert-butylthiadiazole-5-carboximidamide

N-amino-N'-tert-butylthiadiazole-5-carboximidamide (PubChem CID 65215002) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-amino-N'-tert-butylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butylthiadiazole-5-carboximidamide
PubChem CID65215002
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC NameN-amino-N'-tert-butylthiadiazole-5-carboximidamide
SMILESCC(C)(C)/N=C(/NN)c1cnns1
InChIInChI=1S/C7H13N5S/c1-7(2,3)10-6(11-8)5-4-9-12-13-5/h4H,8H2,1-3H3,(H,10,11)
InChIKeyZTIONFLLBVBYEC-UHFFFAOYSA-N
XLogP0.55
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.55
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'-tert-butylthiadiazole-5-carboximidamide?
The IUPAC name of N-amino-N'-tert-butylthiadiazole-5-carboximidamide (CID 65215002) is N-amino-N'-tert-butylthiadiazole-5-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butylthiadiazole-5-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butylthiadiazole-5-carboximidamide is CC(C)(C)/N=C(/NN)c1cnns1.
What is the InChIKey of N-amino-N'-tert-butylthiadiazole-5-carboximidamide?
The InChIKey is ZTIONFLLBVBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-7(2,3)10-6(11-8)5-4-9-12-13-5/h4H,8H2,1-3H3,(H,10,11).
What are the key properties of N-amino-N'-tert-butylthiadiazole-5-carboximidamide?
N-amino-N'-tert-butylthiadiazole-5-carboximidamide has a molecular weight of 199.28 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butylthiadiazole-5-carboximidamide is sourced from PubChem (CID 65215002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).