N-amino-N'-cyclopropylthiadiazole-4-carboximidamide

C6H9N5S — CID 65216082

IUPACN-amino-N'-cyclopropylthiadiazole-4-carboximidamide
SMILESNN/C(=N\C1CC1)c1csnn1
InChIInChI=1S/C6H9N5S/c7-9-6(8-4-1-2-4)5-3-12-11-10-5/h3-4H,1-2,7H2,(H,8,9)
InChIKeyKBYDNTAGRUTUIU-UHFFFAOYSA-N
MW183.24 g/mol
LogP-0.09
Rot. Bonds2

About N-amino-N'-cyclopropylthiadiazole-4-carboximidamide

N-amino-N'-cyclopropylthiadiazole-4-carboximidamide (PubChem CID 65216082) has the molecular formula C6H9N5S and a molecular weight of 183.24 g/mol. Its IUPAC name is N-amino-N'-cyclopropylthiadiazole-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropylthiadiazole-4-carboximidamide
PubChem CID65216082
Molecular FormulaC6H9N5S
Molecular Weight183.24 g/mol
Exact Mass183.06
IUPAC NameN-amino-N'-cyclopropylthiadiazole-4-carboximidamide
SMILESNN/C(=N\C1CC1)c1csnn1
InChIInChI=1S/C6H9N5S/c7-9-6(8-4-1-2-4)5-3-12-11-10-5/h3-4H,1-2,7H2,(H,8,9)
InChIKeyKBYDNTAGRUTUIU-UHFFFAOYSA-N
XLogP-0.09
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 5-0.09
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'-cyclopropylthiadiazole-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropylthiadiazole-4-carboximidamide (CID 65216082) is N-amino-N'-cyclopropylthiadiazole-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropylthiadiazole-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropylthiadiazole-4-carboximidamide is NN/C(=N\C1CC1)c1csnn1.
What is the InChIKey of N-amino-N'-cyclopropylthiadiazole-4-carboximidamide?
The InChIKey is KBYDNTAGRUTUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5S/c7-9-6(8-4-1-2-4)5-3-12-11-10-5/h3-4H,1-2,7H2,(H,8,9).
What are the key properties of N-amino-N'-cyclopropylthiadiazole-4-carboximidamide?
N-amino-N'-cyclopropylthiadiazole-4-carboximidamide has a molecular weight of 183.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropylthiadiazole-4-carboximidamide is sourced from PubChem (CID 65216082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).