N,N',4-trimethylthiadiazole-5-carboximidamide

C6H10N4S — CID 20530857

IUPACN,N',4-trimethylthiadiazole-5-carboximidamide
SMILESC/N=C(\NC)c1snnc1C
InChIInChI=1S/C6H10N4S/c1-4-5(11-10-9-4)6(7-2)8-3/h1-3H3,(H,7,8)
InChIKeyHIXRLWKMYDVFKQ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.44
Rot. Bonds1

About N,N',4-trimethylthiadiazole-5-carboximidamide

N,N',4-trimethylthiadiazole-5-carboximidamide (PubChem CID 20530857) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is N,N',4-trimethylthiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN,N',4-trimethylthiadiazole-5-carboximidamide
PubChem CID20530857
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC NameN,N',4-trimethylthiadiazole-5-carboximidamide
SMILESC/N=C(\NC)c1snnc1C
InChIInChI=1S/C6H10N4S/c1-4-5(11-10-9-4)6(7-2)8-3/h1-3H3,(H,7,8)
InChIKeyHIXRLWKMYDVFKQ-UHFFFAOYSA-N
XLogP0.44
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N',4-trimethylthiadiazole-5-carboximidamide?
The IUPAC name of N,N',4-trimethylthiadiazole-5-carboximidamide (CID 20530857) is N,N',4-trimethylthiadiazole-5-carboximidamide.
What is the SMILES notation for N,N',4-trimethylthiadiazole-5-carboximidamide?
The canonical SMILES for N,N',4-trimethylthiadiazole-5-carboximidamide is C/N=C(\NC)c1snnc1C.
What is the InChIKey of N,N',4-trimethylthiadiazole-5-carboximidamide?
The InChIKey is HIXRLWKMYDVFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-5(11-10-9-4)6(7-2)8-3/h1-3H3,(H,7,8).
What are the key properties of N,N',4-trimethylthiadiazole-5-carboximidamide?
N,N',4-trimethylthiadiazole-5-carboximidamide has a molecular weight of 170.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',4-trimethylthiadiazole-5-carboximidamide is sourced from PubChem (CID 20530857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).