N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide

C12H15N5S — CID 13381408

IUPACN'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide
SMILESCC(C)(C)c1nnc(/N=C(\N)c2ccccn2)s1
InChIInChI=1S/C12H15N5S/c1-12(2,3)10-16-17-11(18-10)15-9(13)8-6-4-5-7-14-8/h4-7H,1-3H3,(H2,13,15,17)
InChIKeyPDHLHMZOVWNJOY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.27
Rot. Bonds2

About N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide

N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide (PubChem CID 13381408) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide
PubChem CID13381408
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide
SMILESCC(C)(C)c1nnc(/N=C(\N)c2ccccn2)s1
InChIInChI=1S/C12H15N5S/c1-12(2,3)10-16-17-11(18-10)15-9(13)8-6-4-5-7-14-8/h4-7H,1-3H3,(H2,13,15,17)
InChIKeyPDHLHMZOVWNJOY-UHFFFAOYSA-N
XLogP2.27
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide (CID 13381408) is N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide is CC(C)(C)c1nnc(/N=C(\N)c2ccccn2)s1.
What is the InChIKey of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide?
The InChIKey is PDHLHMZOVWNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-12(2,3)10-16-17-11(18-10)15-9(13)8-6-4-5-7-14-8/h4-7H,1-3H3,(H2,13,15,17).
What are the key properties of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide?
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide has a molecular weight of 261.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 13381408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).