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

C12H14N4OS — CID 4615339

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C12H14N4OS/c1-12(2,3)10-15-16-11(18-10)14-9(17)8-5-4-6-13-7-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyHOJAIADLNUILOS-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.48
Rot. Bonds2

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

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 4615339) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID4615339
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C12H14N4OS/c1-12(2,3)10-15-16-11(18-10)14-9(17)8-5-4-6-13-7-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyHOJAIADLNUILOS-UHFFFAOYSA-N
XLogP2.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 4615339) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(C)(C)c1nnc(NC(=O)c2cccnc2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is HOJAIADLNUILOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-12(2,3)10-15-16-11(18-10)14-9(17)8-5-4-6-13-7-8/h4-7H,1-3H3,(H,14,16,17).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.48, 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-3-carboxamide is sourced from PubChem (CID 4615339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).